7H-isoquinolin-3-one

C9H7NO — CID 156505306

IUPAC7H-isoquinolin-3-one
SMILESO=C1C=C2C=CCC=C2C=N1
InChIInChI=1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1,3-6H,2H2
InChIKeySXNFBGVRGCFMNW-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.41
Rot. Bonds

About 7H-isoquinolin-3-one

7H-isoquinolin-3-one (PubChem CID 156505306) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 7H-isoquinolin-3-one.

Molecular Properties

Compound Name7H-isoquinolin-3-one
PubChem CID156505306
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name7H-isoquinolin-3-one
SMILESO=C1C=C2C=CCC=C2C=N1
InChIInChI=1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1,3-6H,2H2
InChIKeySXNFBGVRGCFMNW-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7H-isoquinolin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Benzazepin-2-one
CID 19092219
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
Isoquinoline-3,7-dione
CID 129872515
6-fluoro-8aH-isoquinolin-3-one
CID 73795662
6H-quinolin-2-one
CID 19699059
Isoquinolin-7(1H)-one
CID 22098003
Isoquinolin-1(7H)-one
CID 45079456
Pyrazolo[3,4-g]quinolin-6-one
CID 70481440
8aH-quinolin-3-one
CID 70515343
5-Methylidenepyridin-2-one
CID 74059266
11-Azatricyclo[6.4.1.04,13]trideca-1(13),2,4,6,8,11-hexaen-10-one
CID 88657494
11-Azatricyclo[6.4.1.04,13]trideca-1(13),2,4,6,8,10-hexaen-12-one
CID 88657498

Frequently Asked Questions

What is the IUPAC name of 7H-isoquinolin-3-one?
The IUPAC name of 7H-isoquinolin-3-one (CID 156505306) is 7H-isoquinolin-3-one.
What is the SMILES notation for 7H-isoquinolin-3-one?
The canonical SMILES for 7H-isoquinolin-3-one is O=C1C=C2C=CCC=C2C=N1.
What is the InChIKey of 7H-isoquinolin-3-one?
The InChIKey is SXNFBGVRGCFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1,3-6H,2H2.
What are the key properties of 7H-isoquinolin-3-one?
7H-isoquinolin-3-one has a molecular weight of 145.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-isoquinolin-3-one is sourced from PubChem (CID 156505306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).