2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide

C21H21N3O3 — CID 167887496

IUPAC2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
SMILESCN1CC(C(=O)Nc2cccc(C3CNC(=O)C3)c2)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O3/c1-24-12-18(16-7-2-3-8-17(16)21(24)27)20(26)23-15-6-4-5-13(9-15)14-10-19(25)22-11-14/h2-9,14,18H,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWFRVKCJLZXOXLV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide

2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 167887496) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID167887496
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
SMILESCN1CC(C(=O)Nc2cccc(C3CNC(=O)C3)c2)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O3/c1-24-12-18(16-7-2-3-8-17(16)21(24)27)20(26)23-15-6-4-5-13(9-15)14-10-19(25)22-11-14/h2-9,14,18H,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWFRVKCJLZXOXLV-UHFFFAOYSA-N
XLogP2.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide
CID 164641385
1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide
CID 124861225
2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 86767718
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167977075
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide
CID 119042722
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 152538857
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
N-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167985547
N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 146089982
N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167920117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide (CID 167887496) is 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide is CN1CC(C(=O)Nc2cccc(C3CNC(=O)C3)c2)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is WFRVKCJLZXOXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24-12-18(16-7-2-3-8-17(16)21(24)27)20(26)23-15-6-4-5-13(9-15)14-10-19(25)22-11-14/h2-9,14,18H,10-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide?
2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 167887496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).