N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

C23H25N3O2 — CID 1459301

IUPACN-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C23H25N3O2/c1-17-9-10-21-19(13-17)14-20(22(27)24-21)16-26(15-18-7-3-2-4-8-18)23(28)25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,24,27)
InChIKeyYBTLKTYPKMLLEQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.05
Rot. Bonds4

About N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 1459301) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID1459301
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C23H25N3O2/c1-17-9-10-21-19(13-17)14-20(22(27)24-21)16-26(15-18-7-3-2-4-8-18)23(28)25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,24,27)
InChIKeyYBTLKTYPKMLLEQ-UHFFFAOYSA-N
XLogP4.05
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 43813417
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 1453527
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylcyclohexanecarboxamide
CID 1385389
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
CID 3193910
N-ethyl-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 941055
3-benzyl-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1374744
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 858511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 1459301) is N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1.
What is the InChIKey of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is YBTLKTYPKMLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-9-10-21-19(13-17)14-20(22(27)24-21)16-26(15-18-7-3-2-4-8-18)23(28)25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,24,27).
What are the key properties of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 1459301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).