N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide

C25H21N3O2 — CID 134368549

IUPACN-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCc1ccc2c(=O)[nH]cc(-c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)c2c1
InChIInChI=1S/C25H21N3O2/c1-16-6-11-21-22(12-16)23(13-26-24(21)29)17-7-9-20(10-8-17)27-25(30)28-14-18-4-2-3-5-19(18)15-28/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyDZLDABBRHCYOSM-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.05
Rot. Bonds2

About N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide

N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 134368549) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID134368549
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCc1ccc2c(=O)[nH]cc(-c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)c2c1
InChIInChI=1S/C25H21N3O2/c1-16-6-11-21-22(12-16)23(13-26-24(21)29)17-7-9-20(10-8-17)27-25(30)28-14-18-4-2-3-5-19(18)15-28/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyDZLDABBRHCYOSM-UHFFFAOYSA-N
XLogP5.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6-methoxy-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 134369296
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90283420
4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]phenyl]-6-methoxy-2H-isoquinolin-1-one
CID 90286188
N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 86665079
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)azetidine-1-carboxamide
CID 121153626
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 123692425
4-[4-[4-(1,3-dihydroisoindole-2-carbonylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoate
CID 86633660
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 86665076
N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 139370311

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide (CID 134368549) is N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide is Cc1ccc2c(=O)[nH]cc(-c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)c2c1.
What is the InChIKey of N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is DZLDABBRHCYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-16-6-11-21-22(12-16)23(13-26-24(21)29)17-7-9-20(10-8-17)27-25(30)28-14-18-4-2-3-5-19(18)15-28/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 134368549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).