N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C23H25N3O2 — CID 110613673

IUPACN-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)Nc2ccc3cc(C)c(=O)[nH]c3c2)c1
InChIInChI=1S/C23H25N3O2/c1-15-5-3-6-17(11-15)14-26-10-4-7-21(26)23(28)24-19-9-8-18-12-16(2)22(27)25-20(18)13-19/h3,5-6,8-9,11-13,21H,4,7,10,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDWQROOKYMBAVTD-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.75
Rot. Bonds4

About N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110613673) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110613673
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)Nc2ccc3cc(C)c(=O)[nH]c3c2)c1
InChIInChI=1S/C23H25N3O2/c1-15-5-3-6-17(11-15)14-26-10-4-7-21(26)23(28)24-19-9-8-18-12-16(2)22(27)25-20(18)13-19/h3,5-6,8-9,11-13,21H,4,7,10,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDWQROOKYMBAVTD-UHFFFAOYSA-N
XLogP3.75
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580
methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
CID 167885152
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090
N-(1,1-dioxothiolan-3-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110411792
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate
CID 110613668
6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 55983762
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
(2S)-1-[2-(3-methylphenyl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768846

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 110613673) is N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cccc(CN2CCCC2C(=O)Nc2ccc3cc(C)c(=O)[nH]c3c2)c1.
What is the InChIKey of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is DWQROOKYMBAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-5-3-6-17(11-15)14-26-10-4-7-21(26)23(28)24-19-9-8-18-12-16(2)22(27)25-20(18)13-19/h3,5-6,8-9,11-13,21H,4,7,10,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110613673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).