3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid

C18H20N2O4 — CID 120525811

IUPAC3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)NCC(C)C(=O)O)c2c1
InChIInChI=1S/C18H20N2O4/c1-10(18(22)23)9-19-17(21)14-8-16(11-3-4-11)20-15-6-5-12(24-2)7-13(14)15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyWKFRNIJSCHFWAM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.57
Rot. Bonds6

About 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid

3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 120525811) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID120525811
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)NCC(C)C(=O)O)c2c1
InChIInChI=1S/C18H20N2O4/c1-10(18(22)23)9-19-17(21)14-8-16(11-3-4-11)20-15-6-5-12(24-2)7-13(14)15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyWKFRNIJSCHFWAM-UHFFFAOYSA-N
XLogP2.57
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid (CID 120525811) is 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid is COc1ccc2nc(C3CC3)cc(C(=O)NCC(C)C(=O)O)c2c1.
What is the InChIKey of 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is WKFRNIJSCHFWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10(18(22)23)9-19-17(21)14-8-16(11-3-4-11)20-15-6-5-12(24-2)7-13(14)15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 120525811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).