2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid

C14H13ClN2O4 — CID 63376246

IUPAC2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H13ClN2O4/c15-9-7-12(16-10-4-2-1-3-8(9)10)13(19)17-11(5-6-18)14(20)21/h1-4,7,11,18H,5-6H2,(H,17,19)(H,20,21)
InChIKeyLNCJNIYSHCGVCW-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.45
Rot. Bonds5

About 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid

2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 63376246) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID63376246
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H13ClN2O4/c15-9-7-12(16-10-4-2-1-3-8(9)10)13(19)17-11(5-6-18)14(20)21/h1-4,7,11,18H,5-6H2,(H,17,19)(H,20,21)
InChIKeyLNCJNIYSHCGVCW-UHFFFAOYSA-N
XLogP1.45
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
4-chloro-N-(1-cyanobutan-2-yl)quinoline-2-carboxamide
CID 63376390

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid (CID 63376246) is 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is LNCJNIYSHCGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-9-7-12(16-10-4-2-1-3-8(9)10)13(19)17-11(5-6-18)14(20)21/h1-4,7,11,18H,5-6H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 308.72 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 63376246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).