2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid

C18H17N3O2 — CID 7137912

IUPAC2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
SMILESCc1cc(NCCc2ccncc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C18H17N3O2/c1-12-10-17(20-9-6-13-4-7-19-8-5-13)15-11-14(18(22)23)2-3-16(15)21-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyMNDXYMWHTQPILV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.29
Rot. Bonds5

About 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid

2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid (PubChem CID 7137912) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
PubChem CID7137912
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
SMILESCc1cc(NCCc2ccncc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C18H17N3O2/c1-12-10-17(20-9-6-13-4-7-19-8-5-13)15-11-14(18(22)23)2-3-16(15)21-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyMNDXYMWHTQPILV-UHFFFAOYSA-N
XLogP3.29
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic 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

4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
CID 172712956
4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
CID 54071769
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
CID 62515343
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
CID 55236658
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid?
The IUPAC name of 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid (CID 7137912) is 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid?
The canonical SMILES for 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid is Cc1cc(NCCc2ccncc2)c2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid?
The InChIKey is MNDXYMWHTQPILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-10-17(20-9-6-13-4-7-19-8-5-13)15-11-14(18(22)23)2-3-16(15)21-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid?
2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid is sourced from PubChem (CID 7137912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).