4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid

C15H15ClN2O3 — CID 120534754

IUPAC4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C15H15ClN2O3/c1-9(2-7-14(19)20)17-15(21)12-6-4-10-3-5-11(16)8-13(10)18-12/h3-6,8-9H,2,7H2,1H3,(H,17,21)(H,19,20)
InChIKeyIDIQHVWPSUSXAE-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.87
Rot. Bonds5

About 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid

4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid (PubChem CID 120534754) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
PubChem CID120534754
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C15H15ClN2O3/c1-9(2-7-14(19)20)17-15(21)12-6-4-10-3-5-11(16)8-13(10)18-12/h3-6,8-9H,2,7H2,1H3,(H,17,21)(H,19,20)
InChIKeyIDIQHVWPSUSXAE-UHFFFAOYSA-N
XLogP2.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120518190
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride
CID 119522739
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
CID 81323373
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid (CID 120534754) is 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid?
The InChIKey is IDIQHVWPSUSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9(2-7-14(19)20)17-15(21)12-6-4-10-3-5-11(16)8-13(10)18-12/h3-6,8-9H,2,7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid?
4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid has a molecular weight of 306.75 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).