3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide

C17H14N2O3 — CID 135536708

IUPAC3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
SMILESCn1c(O)c(C(=O)Nc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-19-16(21)13-10-6-5-9-12(13)14(17(19)22)15(20)18-11-7-3-2-4-8-11/h2-10,22H,1H3,(H,18,20)
InChIKeyCQTOAPSUQJCGOZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.50
Rot. Bonds2

About 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide

3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide (PubChem CID 135536708) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
PubChem CID135536708
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
SMILESCn1c(O)c(C(=O)Nc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-19-16(21)13-10-6-5-9-12(13)14(17(19)22)15(20)18-11-7-3-2-4-8-11/h2-10,22H,1H3,(H,18,20)
InChIKeyCQTOAPSUQJCGOZ-UHFFFAOYSA-N
XLogP2.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mozavaptan
CID 119369
2-Phenylamino-1,4-naphthoquinone
CID 81124
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
2-Toluanilide
CID 23466
2-(4-Methylphenyl)isoquinoline-1,3(2H,4H)-dione
CID 3739108
Darenzepine
CID 9819661
2-Amino-3-(m-tolylamino)naphthalene-1,4-dione
CID 11976150
GNF-Pf-4576
CID 2833933
2-Anilino-3-piperidin-1-ylnaphthalene-1,4-dione
CID 3147878
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 39994248
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-iodobenzoyl)amino]benzamide
CID 155664128
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664130

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide (CID 135536708) is 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide is Cn1c(O)c(C(=O)Nc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
The InChIKey is CQTOAPSUQJCGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-19-16(21)13-10-6-5-9-12(13)14(17(19)22)15(20)18-11-7-3-2-4-8-11/h2-10,22H,1H3,(H,18,20).
What are the key properties of 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide is sourced from PubChem (CID 135536708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).