4-[(2-methylquinolin-4-yl)amino]butanoic acid

C14H16N2O2 — CID 43419953

IUPAC4-[(2-methylquinolin-4-yl)amino]butanoic acid
SMILESCc1cc(NCCCC(=O)O)c2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-10-9-13(15-8-4-7-14(17)18)11-5-2-3-6-12(11)16-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDPVITJLFQMHETH-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.82
Rot. Bonds5

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

4-[(2-methylquinolin-4-yl)amino]butanoic acid (PubChem CID 43419953) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylquinolin-4-yl)amino]butanoic acid
PubChem CID43419953
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[(2-methylquinolin-4-yl)amino]butanoic acid
SMILESCc1cc(NCCCC(=O)O)c2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-10-9-13(15-8-4-7-14(17)18)11-5-2-3-6-12(11)16-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDPVITJLFQMHETH-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-methylquinolin-4-yl)amino]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 62041805
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[(2-methylquinolin-4-yl)amino]butanoic acid (CID 43419953) is 4-[(2-methylquinolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylquinolin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methylquinolin-4-yl)amino]butanoic acid is Cc1cc(NCCCC(=O)O)c2ccccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-4-yl)amino]butanoic acid?
The InChIKey is DPVITJLFQMHETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-9-13(15-8-4-7-14(17)18)11-5-2-3-6-12(11)16-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-methylquinolin-4-yl)amino]butanoic acid?
4-[(2-methylquinolin-4-yl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 43419953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).