General Information of the Compound
Compound ID
CP0506663
Compound Name
N-[2-(diethylamino)ethyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
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Structure
Formula
C19H22N4O2
Molecular Weight
338.411
Canonical SMILES
CCN(CC)CCNC(=O)c1cccn2c1nc1ccccc1c2=O
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InChI
InChI=1S/C19H22N4O2/c1-3-22(4-2)13-11-20-18(24)15-9-7-12-23-17(15)21-16-10-6-5-8-14(16)19(23)25/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,24)
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InChIKey
HWAYBPSEDLQTNJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.9193
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
66.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 90644364
ChEMBL ID
CHEMBL3289399
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06775, DNA-directed RNA polymerase I subunit RPA1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 1350 nM
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