3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid

C12H11ClN2O3 — CID 117264154

IUPAC3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
SMILESCc1ccc2nc(Cl)n(CCC(=O)O)c(=O)c2c1
InChIInChI=1S/C12H11ClN2O3/c1-7-2-3-9-8(6-7)11(18)15(12(13)14-9)5-4-10(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyASGLENUHOFWVTM-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.83
Rot. Bonds3

About 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid

3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 117264154) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID117264154
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
SMILESCc1ccc2nc(Cl)n(CCC(=O)O)c(=O)c2c1
InChIInChI=1S/C12H11ClN2O3/c1-7-2-3-9-8(6-7)11(18)15(12(13)14-9)5-4-10(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyASGLENUHOFWVTM-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate
CID 170902286
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
CID 170904125
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2-chloro-7-methyl-3-(2-oxopropyl)quinazolin-4-one
CID 117264191
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
CID 117263866
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid (CID 117264154) is 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid is Cc1ccc2nc(Cl)n(CCC(=O)O)c(=O)c2c1.
What is the InChIKey of 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is ASGLENUHOFWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-2-3-9-8(6-7)11(18)15(12(13)14-9)5-4-10(16)17/h2-3,6H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid?
3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 266.68 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).