N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide

C17H14N2O2 — CID 67768528

IUPACN-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
SMILESCNC(=O)c1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-18-16(20)13-8-7-12-10-15(11-5-3-2-4-6-11)19-17(21)14(12)9-13/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyIPSOWRNIQCCUOP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.55
Rot. Bonds2

About N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide

N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide (PubChem CID 67768528) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
PubChem CID67768528
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
SMILESCNC(=O)c1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-18-16(20)13-8-7-12-10-15(11-5-3-2-4-6-11)19-17(21)14(12)9-13/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyIPSOWRNIQCCUOP-UHFFFAOYSA-N
XLogP2.55
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156859
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156742
3-[4-(1-methoxyethenyl)phenyl]-2H-isoquinolin-1-one
CID 123349936
7-[methyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]-3-phenyl-2H-isoquinolin-1-one
CID 58941649
7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660
N-methyl-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 53217915
N-methyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497282
2-phenyl-1H-indole-6-carboxamide
CID 69443786
7-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-phenyl-2H-isoquinolin-1-one
CID 141281104
N-methylbenzamide
CID 11954

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide?
The IUPAC name of N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide (CID 67768528) is N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide?
The canonical SMILES for N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide is CNC(=O)c1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide?
The InChIKey is IPSOWRNIQCCUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-18-16(20)13-8-7-12-10-15(11-5-3-2-4-6-11)19-17(21)14(12)9-13/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide?
N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide is sourced from PubChem (CID 67768528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).