N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide

C27H33N3O2 — CID 157255920

IUPACN-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CCCC(C)C)ccc3N3CCCC3)cc12
InChIInChI=1S/C27H33N3O2/c1-18(2)7-6-8-20-9-12-25(30-13-4-5-14-30)23(16-20)27(32)28-21-10-11-24-22(17-21)19(3)15-26(31)29-24/h9-12,15-18H,4-8,13-14H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyAWWULYXSVAITKV-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.67
Rot. Bonds7

About N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide

N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 157255920) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID157255920
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CCCC(C)C)ccc3N3CCCC3)cc12
InChIInChI=1S/C27H33N3O2/c1-18(2)7-6-8-20-9-12-25(30-13-4-5-14-30)23(16-20)27(32)28-21-10-11-24-22(17-21)19(3)15-26(31)29-24/h9-12,15-18H,4-8,13-14H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyAWWULYXSVAITKV-UHFFFAOYSA-N
XLogP5.67
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-hydroxyethyl(methyl)amino]methyl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylbenzamide
CID 118695250
2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
CID 118695977
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
5-(dimethylsulfamoyl)-2-(3-hydroxypyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118695136
2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide
CID 162011393
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065
5-(isocyanomethyl)-N-(8-methyl-6-oxo-5H-naphthalen-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 152826679
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
1-N,1-N-dimethyl-4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)piperidine-1,4-dicarboxamide
CID 166252924
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide (CID 157255920) is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CCCC(C)C)ccc3N3CCCC3)cc12.
What is the InChIKey of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is AWWULYXSVAITKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-18(2)7-6-8-20-9-12-25(30-13-4-5-14-30)23(16-20)27(32)28-21-10-11-24-22(17-21)19(3)15-26(31)29-24/h9-12,15-18H,4-8,13-14H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide?
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 431.58 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 157255920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).