N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide

C16H12N2O4 — CID 158727140

IUPACN-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C16H12N2O4/c19-14-9-11-8-10(15(20)17-22)6-7-13(11)16(21)18(14)12-4-2-1-3-5-12/h1-8,22H,9H2,(H,17,20)
InChIKeyYMMJFNKCBNCGFV-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.54
Rot. Bonds2

About N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide

N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide (PubChem CID 158727140) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide
PubChem CID158727140
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C16H12N2O4/c19-14-9-11-8-10(15(20)17-22)6-7-13(11)16(21)18(14)12-4-2-1-3-5-12/h1-8,22H,9H2,(H,17,20)
InChIKeyYMMJFNKCBNCGFV-UHFFFAOYSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
CID 736902
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 63260234
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoic acid
CID 1240028
2-(3-hydroxy-4-methylphenyl)-4H-isoquinoline-1,3-dione
CID 64795157
5-bromo-1-phenyl-3H-indol-2-one
CID 139061933
(3S)-N-hydroxy-3-methyl-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438322
N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide
CID 155516850
2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
CID 122439160

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide?
The IUPAC name of N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide (CID 158727140) is N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide?
The canonical SMILES for N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide is O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide?
The InChIKey is YMMJFNKCBNCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-9-11-8-10(15(20)17-22)6-7-13(11)16(21)18(14)12-4-2-1-3-5-12/h1-8,22H,9H2,(H,17,20).
What are the key properties of N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide?
N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide is sourced from PubChem (CID 158727140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).