2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione

C15H12N2O3 — CID 107698096

IUPAC2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESNc1cc(O)ccc1N1C(=O)Cc2ccccc2C1=O
InChIInChI=1S/C15H12N2O3/c16-12-8-10(18)5-6-13(12)17-14(19)7-9-3-1-2-4-11(9)15(17)20/h1-6,8,18H,7,16H2
InChIKeyLYZFZVCEDXHIIL-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.70
Rot. Bonds1

About 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione

2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione (PubChem CID 107698096) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
PubChem CID107698096
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESNc1cc(O)ccc1N1C(=O)Cc2ccccc2C1=O
InChIInChI=1S/C15H12N2O3/c16-12-8-10(18)5-6-13(12)17-14(19)7-9-3-1-2-4-11(9)15(17)20/h1-6,8,18H,7,16H2
InChIKeyLYZFZVCEDXHIIL-UHFFFAOYSA-N
XLogP1.70
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
CID 64788256
2-(4-amino-2-methylphenyl)-4H-isoquinoline-1,3-dione
CID 43123740
2-[2-(1-aminoethyl)phenyl]-4H-isoquinoline-1,3-dione
CID 43653734
2-(1,3-dioxo-4H-isoquinolin-2-yl)benzonitrile
CID 43089357
2-(5-bromo-2-chlorophenyl)-4H-isoquinoline-1,3-dione
CID 62908091
2-(4-bromo-2,5-difluorophenyl)-4H-isoquinoline-1,3-dione
CID 107612785
2-(3-hydroxy-4-methylphenyl)-4H-isoquinoline-1,3-dione
CID 64795157
1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
CID 107698079
2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
CID 168516422
3-(1,3-dioxo-4H-isoquinolin-2-yl)-4-methylbenzonitrile
CID 62105268
1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107698094
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione (CID 107698096) is 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione is Nc1cc(O)ccc1N1C(=O)Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The InChIKey is LYZFZVCEDXHIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-12-8-10(18)5-6-13(12)17-14(19)7-9-3-1-2-4-11(9)15(17)20/h1-6,8,18H,7,16H2.
What are the key properties of 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione has a molecular weight of 268.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 107698096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).