N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

C24H27N3O3 — CID 43813417

IUPACN-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O3/c1-17-5-10-22-19(13-17)14-20(23(28)25-22)16-27(24(29)26-11-3-4-12-26)15-18-6-8-21(30-2)9-7-18/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,25,28)
InChIKeyADKQTIQHLFSFPS-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.06
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 43813417) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID43813417
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O3/c1-17-5-10-22-19(13-17)14-20(23(28)25-22)16-27(24(29)26-11-3-4-12-26)15-18-6-8-21(30-2)9-7-18/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,25,28)
InChIKeyADKQTIQHLFSFPS-UHFFFAOYSA-N
XLogP4.06
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 1459301
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1140960
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449539
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134226
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3173854
3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141340
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459110
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193877
3-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1140986

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 43813417) is N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ADKQTIQHLFSFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-5-10-22-19(13-17)14-20(23(28)25-22)16-27(24(29)26-11-3-4-12-26)15-18-6-8-21(30-2)9-7-18/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 43813417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).