4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid

C20H24N2O3 — CID 120534817

IUPAC4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)NC(C)CCC(=O)O)c2c1
InChIInChI=1S/C20H24N2O3/c1-11-8-12(2)19-15(9-11)16(10-17(22-19)14-5-6-14)20(25)21-13(3)4-7-18(23)24/h8-10,13-14H,4-7H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyOCSVUEHFHZYUGH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.71
Rot. Bonds6

About 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid

4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 120534817) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
PubChem CID120534817
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)NC(C)CCC(=O)O)c2c1
InChIInChI=1S/C20H24N2O3/c1-11-8-12(2)19-15(9-11)16(10-17(22-19)14-5-6-14)20(25)21-13(3)4-7-18(23)24/h8-10,13-14H,4-7H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyOCSVUEHFHZYUGH-UHFFFAOYSA-N
XLogP3.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide
CID 138996252
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 119633241
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119825097

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid (CID 120534817) is 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid is Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC(C)CCC(=O)O)c2c1.
What is the InChIKey of 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is OCSVUEHFHZYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-11-8-12(2)19-15(9-11)16(10-17(22-19)14-5-6-14)20(25)21-13(3)4-7-18(23)24/h8-10,13-14H,4-7H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid?
4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).