(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide

C15H18N4O — CID 59895156

IUPAC(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide
SMILESCN1C[C@H](N)C[C@H]1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H18N4O/c1-19-9-11(16)7-14(19)15(20)18-12-6-10-4-2-3-5-13(10)17-8-12/h2-6,8,11,14H,7,9,16H2,1H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyUOVOLXJVMKGJNE-RISCZKNCSA-N
MW270.34 g/mol
LogP1.20
Rot. Bonds2

About (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide (PubChem CID 59895156) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide
PubChem CID59895156
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide
SMILESCN1C[C@H](N)C[C@H]1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H18N4O/c1-19-9-11(16)7-14(19)15(20)18-12-6-10-4-2-3-5-13(10)17-8-12/h2-6,8,11,14H,7,9,16H2,1H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyUOVOLXJVMKGJNE-RISCZKNCSA-N
XLogP1.20
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-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-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
(2S,4R)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 59895217
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673
(2S,4R)-1,4-dimethyl-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide
CID 59895265
2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 53368137
(1R,2S,3S,4R)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18555567
(1R,2R,3S,4S)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 7470349
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
methyl N-quinolin-3-ylcarbamate
CID 19697860
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide
CID 25353300

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide (CID 59895156) is (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide is CN1C[C@H](N)C[C@H]1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is UOVOLXJVMKGJNE-RISCZKNCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-9-11(16)7-14(19)15(20)18-12-6-10-4-2-3-5-13(10)17-8-12/h2-6,8,11,14H,7,9,16H2,1H3,(H,18,20)/t11-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59895156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).