4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide

C17H14N2O3 — CID 54723896

IUPAC4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide
SMILESCN(C(=O)c1[nH]c(=O)c2ccccc2c1O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-19(11-7-3-2-4-8-11)17(22)14-15(20)12-9-5-6-10-13(12)16(21)18-14/h2-10,20H,1H3,(H,18,21)
InChIKeyIMNZUVUXTGPBRD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.51
Rot. Bonds2

About 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide

4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide (PubChem CID 54723896) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide
PubChem CID54723896
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide
SMILESCN(C(=O)c1[nH]c(=O)c2ccccc2c1O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-19(11-7-3-2-4-8-11)17(22)14-15(20)12-9-5-6-10-13(12)16(21)18-14/h2-10,20H,1H3,(H,18,21)
InChIKeyIMNZUVUXTGPBRD-UHFFFAOYSA-N
XLogP2.51
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-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 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide (CID 54723896) is 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide is CN(C(=O)c1[nH]c(=O)c2ccccc2c1O)c1ccccc1.
What is the InChIKey of 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide?
The InChIKey is IMNZUVUXTGPBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-19(11-7-3-2-4-8-11)17(22)14-15(20)12-9-5-6-10-13(12)16(21)18-14/h2-10,20H,1H3,(H,18,21).
What are the key properties of 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide?
4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 54723896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).