3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid

C13H11ClN2O4 — CID 66166666

IUPAC3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C13H11ClN2O4/c14-8-5-10(12(18)15-6-11(17)13(19)20)16-9-4-2-1-3-7(8)9/h1-5,11,17H,6H2,(H,15,18)(H,19,20)
InChIKeyVOMXRZISPCBOMK-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.06
Rot. Bonds4

About 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid

3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66166666) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66166666
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C13H11ClN2O4/c14-8-5-10(12(18)15-6-11(17)13(19)20)16-9-4-2-1-3-7(8)9/h1-5,11,17H,6H2,(H,15,18)(H,19,20)
InChIKeyVOMXRZISPCBOMK-UHFFFAOYSA-N
XLogP1.06
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid (CID 66166666) is 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is VOMXRZISPCBOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c14-8-5-10(12(18)15-6-11(17)13(19)20)16-9-4-2-1-3-7(8)9/h1-5,11,17H,6H2,(H,15,18)(H,19,20).
What are the key properties of 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 294.69 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).