2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid

C19H15ClN2O4 — CID 57290117

IUPAC2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid
SMILESO=C(NC(Cn1c(=O)ccc2ccccc21)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O4/c20-14-8-5-13(6-9-14)18(24)21-15(19(25)26)11-22-16-4-2-1-3-12(16)7-10-17(22)23/h1-10,15H,11H2,(H,21,24)(H,25,26)
InChIKeyGALCZENQCUIENF-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.54
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid

2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid (PubChem CID 57290117) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid
PubChem CID57290117
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid
SMILESO=C(NC(Cn1c(=O)ccc2ccccc21)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O4/c20-14-8-5-13(6-9-14)18(24)21-15(19(25)26)11-22-16-4-2-1-3-12(16)7-10-17(22)23/h1-10,15H,11H2,(H,21,24)(H,25,26)
InChIKeyGALCZENQCUIENF-UHFFFAOYSA-N
XLogP2.54
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-chloro-N-[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl]benzamide
CID 56571003
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80749551
potassium;2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;hydride
CID 174621990
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55935379
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid (CID 57290117) is 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid is O=C(NC(Cn1c(=O)ccc2ccccc21)C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid?
The InChIKey is GALCZENQCUIENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c20-14-8-5-13(6-9-14)18(24)21-15(19(25)26)11-22-16-4-2-1-3-12(16)7-10-17(22)23/h1-10,15H,11H2,(H,21,24)(H,25,26).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid?
2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid has a molecular weight of 370.79 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 57290117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).