3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid

C18H20N2O3 — CID 119351411

IUPAC3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)NCCC(=O)O)c2c1
InChIInChI=1S/C18H20N2O3/c1-10-7-11(2)17-13(8-10)14(9-15(20-17)12-3-4-12)18(23)19-6-5-16(21)22/h7-9,12H,3-6H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyXYZIGLIBBQUGJF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.93
Rot. Bonds5

About 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid

3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid (PubChem CID 119351411) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
PubChem CID119351411
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)NCCC(=O)O)c2c1
InChIInChI=1S/C18H20N2O3/c1-10-7-11(2)17-13(8-10)14(9-15(20-17)12-3-4-12)18(23)19-6-5-16(21)22/h7-9,12H,3-6H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyXYZIGLIBBQUGJF-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534817
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
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119825097
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 119633241
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid (CID 119351411) is 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid is Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCC(=O)O)c2c1.
What is the InChIKey of 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is XYZIGLIBBQUGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10-7-11(2)17-13(8-10)14(9-15(20-17)12-3-4-12)18(23)19-6-5-16(21)22/h7-9,12H,3-6H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid?
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119351411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).