General Information of the Compound
Compound ID
CP0168034
Compound Name
4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]-N-phenylbenzamide
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Structure
Formula
C22H18N4O3
Molecular Weight
386.411
Canonical SMILES
COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O
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InChI
InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
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InChIKey
YQTIZDYSQKQTBQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3399
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
96.37
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 145979974
ChEMBL ID
CHEMBL4282530