2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

C19H15ClN2O4 — CID 13342115

IUPAC2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
SMILESO=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O4/c20-14-7-3-1-6-13(14)18(24)22-16(19(25)26)9-11-10-17(23)21-15-8-4-2-5-12(11)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyCICRNAAVEZYNSB-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.61
Rot. Bonds5

About 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid (PubChem CID 13342115) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
PubChem CID13342115
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
SMILESO=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O4/c20-14-7-3-1-6-13(14)18(24)22-16(19(25)26)9-11-10-17(23)21-15-8-4-2-5-12(11)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyCICRNAAVEZYNSB-UHFFFAOYSA-N
XLogP2.61
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid (CID 13342115) is 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid is O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
The InChIKey is CICRNAAVEZYNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c20-14-7-3-1-6-13(14)18(24)22-16(19(25)26)9-11-10-17(23)21-15-8-4-2-5-12(11)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid has a molecular weight of 370.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid is sourced from PubChem (CID 13342115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).