2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid

C15H15ClN2O3 — CID 120518190

IUPAC2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C15H15ClN2O3/c1-9(2)18(8-14(19)20)15(21)12-6-4-10-3-5-11(16)7-13(10)17-12/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeySXBHBUIAVZNZGC-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.82
Rot. Bonds4

About 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid

2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 120518190) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID120518190
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C15H15ClN2O3/c1-9(2)18(8-14(19)20)15(21)12-6-4-10-3-5-11(16)7-13(10)17-12/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeySXBHBUIAVZNZGC-UHFFFAOYSA-N
XLogP2.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide
CID 71974517
4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
CID 120534754
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 81279694
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832051
N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
CID 111969900
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 120581040
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 62514429

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid (CID 120518190) is 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is SXBHBUIAVZNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9(2)18(8-14(19)20)15(21)12-6-4-10-3-5-11(16)7-13(10)17-12/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 306.75 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120518190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).