2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid

C19H20N2O3 — CID 120521154

IUPAC2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NC(C(=O)O)C3CC3)c2c1
InChIInChI=1S/C19H20N2O3/c1-10-2-7-15-13(8-10)14(9-16(20-15)11-3-4-11)18(22)21-17(19(23)24)12-5-6-12/h2,7-9,11-12,17H,3-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyICNQHXOOFOQIKL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.01
Rot. Bonds5

About 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid (PubChem CID 120521154) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
PubChem CID120521154
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NC(C(=O)O)C3CC3)c2c1
InChIInChI=1S/C19H20N2O3/c1-10-2-7-15-13(8-10)14(9-16(20-15)11-3-4-11)18(22)21-17(19(23)24)12-5-6-12/h2,7-9,11-12,17H,3-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyICNQHXOOFOQIKL-UHFFFAOYSA-N
XLogP3.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SB 218795
CID 6604858
N-(2-hydroxyethyl)-4-[(2,6,8-trimethylquinolin-4-yl)amino]benzamide
CID 1600362
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
CID 5002006
9-Acridinecarboxamide, 1,2,3,4-tetrahydro-N-(1-methylethyl)-
CID 824113
(S)-4-Amino-4-oxo-2-(((quinolin-2-yl)carbonyl)amino)butanoic acid
CID 11044384
4-Quinolinecarboxamide,n-cyclopentyl-2-methyl-
CID 757639
Methyl 2-[(6-methyl-2-(4-pyridyl)-4-quinolyl)carbonylamino]acetate
CID 1261286
N-cycloheptyl-2,6-dimethylquinoline-4-carboxamide
CID 2098697
N-butyl-2-methylquinoline-4-carboxamide
CID 2108581
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 4529080
N-[(S)-alpha-(Methoxycarbonyl)benzyl]-2-phenylquinoline-4-carboxamide
CID 6604014

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid (CID 120521154) is 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid is Cc1ccc2nc(C3CC3)cc(C(=O)NC(C(=O)O)C3CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid?
The InChIKey is ICNQHXOOFOQIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-10-2-7-15-13(8-10)14(9-16(20-15)11-3-4-11)18(22)21-17(19(23)24)12-5-6-12/h2,7-9,11-12,17H,3-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 120521154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).