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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).