2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid

C18H15ClN2O3 — CID 70405849

IUPAC2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid
SMILESCc1nc(=O)n(CC(C(=O)O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H15ClN2O3/c1-11-14-4-2-3-5-16(14)21(18(24)20-11)10-15(17(22)23)12-6-8-13(19)9-7-12/h2-9,15H,10H2,1H3,(H,22,23)
InChIKeyVWLUFARYVIRLTJ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid

2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid (PubChem CID 70405849) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid
PubChem CID70405849
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid
SMILESCc1nc(=O)n(CC(C(=O)O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H15ClN2O3/c1-11-14-4-2-3-5-16(14)21(18(24)20-11)10-15(17(22)23)12-6-8-13(19)9-7-12/h2-9,15H,10H2,1H3,(H,22,23)
InChIKeyVWLUFARYVIRLTJ-UHFFFAOYSA-N
XLogP3.23
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid (CID 70405849) is 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid is Cc1nc(=O)n(CC(C(=O)O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid?
The InChIKey is VWLUFARYVIRLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-11-14-4-2-3-5-16(14)21(18(24)20-11)10-15(17(22)23)12-6-8-13(19)9-7-12/h2-9,15H,10H2,1H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid?
2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid has a molecular weight of 342.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid is sourced from PubChem (CID 70405849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).