4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid

C16H20N2O2 — CID 62041805

IUPAC4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
SMILESCc1cc(NC(C)(C)CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11-10-14(12-6-4-5-7-13(12)17-11)18-16(2,3)9-8-15(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKJJMIFZXFFZLRW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.60
Rot. Bonds5

About 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid

4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid (PubChem CID 62041805) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
PubChem CID62041805
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
SMILESCc1cc(NC(C)(C)CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11-10-14(12-6-4-5-7-13(12)17-11)18-16(2,3)9-8-15(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKJJMIFZXFFZLRW-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic 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 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid (CID 62041805) is 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid is Cc1cc(NC(C)(C)CCC(=O)O)c2ccccc2n1.
What is the InChIKey of 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid?
The InChIKey is KJJMIFZXFFZLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-10-14(12-6-4-5-7-13(12)17-11)18-16(2,3)9-8-15(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid?
4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 62041805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).