N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide

C25H22N2O2 — CID 118028235

IUPACN-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide
SMILESCc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H22N2O2/c1-17-12-13-19(14-22(17)24(28)26-15-18-8-4-3-5-9-18)23-16-27(2)25(29)21-11-7-6-10-20(21)23/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyUQUMZCMGYFSFEW-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.44
Rot. Bonds4

About N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide

N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide (PubChem CID 118028235) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide
PubChem CID118028235
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide
SMILESCc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H22N2O2/c1-17-12-13-19(14-22(17)24(28)26-15-18-8-4-3-5-9-18)23-16-27(2)25(29)21-11-7-6-10-20(21)23/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyUQUMZCMGYFSFEW-UHFFFAOYSA-N
XLogP4.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
5-(2-anilinopyrimidin-4-yl)-N-benzyl-2-methylbenzamide
CID 10023555
N-benzyl-1,4-dimethylimidazole-2-carboxamide
CID 145376007
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
CID 14444896
N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778
N-benzyl-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 20668750
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
2-methyl-4-[2-methyl-5-[(sulfinatoamino)methyl]phenyl]-1-oxoisoquinoline
CID 118319367
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
4-(3-hydroxysulfanylphenyl)-2-methylisoquinolin-1-one
CID 134310761

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide?
The IUPAC name of N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide (CID 118028235) is N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide.
What is the SMILES notation for N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide?
The canonical SMILES for N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide is Cc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide?
The InChIKey is UQUMZCMGYFSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-12-13-19(14-22(17)24(28)26-15-18-8-4-3-5-9-18)23-16-27(2)25(29)21-11-7-6-10-20(21)23/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide?
N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-(2-methyl-1-oxoisoquinolin-4-yl)benzamide is sourced from PubChem (CID 118028235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).