General Information of the Compound
Compound ID
CP0233992
Compound Name
3-(3-methyl-4-oxoquinazolin-2-yl)propanoic acid
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Structure
Formula
C12H12N2O3
Molecular Weight
232.239
Canonical SMILES
Cn1c(CCC(O)=O)nc2ccccc2c1=O
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InChI
InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
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InChIKey
UXGWMRNLTMHSST-UHFFFAOYSA-N
Physicochemical Property
logP
0.9507
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
72.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 7130899
ChEMBL ID
CHEMBL4204982