2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid

C13H11ClN2O3 — CID 110490256

IUPAC2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-7(13(18)19)15-12(17)10-5-3-8-2-4-9(14)6-11(8)16-10/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyXQOKXUNFNXMBNM-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.09
Rot. Bonds3

About 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid

2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid (PubChem CID 110490256) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
PubChem CID110490256
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-7(13(18)19)15-12(17)10-5-3-8-2-4-9(14)6-11(8)16-10/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyXQOKXUNFNXMBNM-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
CID 120534754
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
CID 171573867
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120518190
N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride
CID 119522739
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
CID 110836208
7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide
CID 110485367
4-[(7-chloroquinoline-2-carbonyl)amino]thiane-4-carboxylic acid
CID 120531087
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid (CID 110490256) is 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)O.
What is the InChIKey of 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid?
The InChIKey is XQOKXUNFNXMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7(13(18)19)15-12(17)10-5-3-8-2-4-9(14)6-11(8)16-10/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid?
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid has a molecular weight of 278.69 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110490256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).