5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide

C21H22N4O — CID 169224228

IUPAC5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide
SMILESCN(c1ccc(C(N)=O)c2ncc(-c3ccccc3)cc12)[C@H]1CCNC1
InChIInChI=1S/C21H22N4O/c1-25(16-9-10-23-13-16)19-8-7-17(21(22)26)20-18(19)11-15(12-24-20)14-5-3-2-4-6-14/h2-8,11-12,16,23H,9-10,13H2,1H3,(H2,22,26)/t16-/m0/s1
InChIKeyAHXKCOUECHZWBE-INIZCTEOSA-N
MW346.43 g/mol
LogP2.80
Rot. Bonds4

About 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide

5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide (PubChem CID 169224228) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide.

Molecular Properties

Compound Name5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide
PubChem CID169224228
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide
SMILESCN(c1ccc(C(N)=O)c2ncc(-c3ccccc3)cc12)[C@H]1CCNC1
InChIInChI=1S/C21H22N4O/c1-25(16-9-10-23-13-16)19-8-7-17(21(22)26)20-18(19)11-15(12-24-20)14-5-3-2-4-6-14/h2-8,11-12,16,23H,9-10,13H2,1H3,(H2,22,26)/t16-/m0/s1
InChIKeyAHXKCOUECHZWBE-INIZCTEOSA-N
XLogP2.80
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide 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

2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116977522
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
3-phenylquinoline-5-carboxamide
CID 19033241
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 63883694
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide?
The IUPAC name of 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide (CID 169224228) is 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide.
What is the SMILES notation for 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide?
The canonical SMILES for 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide is CN(c1ccc(C(N)=O)c2ncc(-c3ccccc3)cc12)[C@H]1CCNC1.
What is the InChIKey of 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide?
The InChIKey is AHXKCOUECHZWBE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(16-9-10-23-13-16)19-8-7-17(21(22)26)20-18(19)11-15(12-24-20)14-5-3-2-4-6-14/h2-8,11-12,16,23H,9-10,13H2,1H3,(H2,22,26)/t16-/m0/s1.
What are the key properties of 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide?
5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-3-phenylquinoline-8-carboxamide is sourced from PubChem (CID 169224228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).