7H-isoquinolin-6-one

C9H7NO — CID 123935586

IUPAC7H-isoquinolin-6-one
SMILESO=C1C=c2ccncc2=CC1
InChIInChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1,3-6H,2H2
InChIKeyCHOKMNLBCCUZLQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.38
Rot. Bonds

About 7H-isoquinolin-6-one

7H-isoquinolin-6-one (PubChem CID 123935586) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 7H-isoquinolin-6-one.

Molecular Properties

Compound Name7H-isoquinolin-6-one
PubChem CID123935586
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name7H-isoquinolin-6-one
SMILESO=C1C=c2ccncc2=CC1
InChIInChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1,3-6H,2H2
InChIKeyCHOKMNLBCCUZLQ-UHFFFAOYSA-N
XLogP-0.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-quinolin-8-one
CID 18187031
Isoindol-6-one
CID 18361956
Quinolin-3(5H)-one
CID 20454005
Chinazolin-6-on
CID 21755360
7-Chinolon
CID 66583170
Isoquinoline-7-one
CID 67245344
Benz[e]indol-4-one
CID 129675893
2-Azafluoren-7-one
CID 129650989
Dibenzo[c,e]azepinone
CID 162368597
Cyclopenta[c]pyridin-6-one
CID 19748666
2-Benzazepin-4-one
CID 19763352
Quinoline-6,7-dione
CID 22371656

Frequently Asked Questions

What is the IUPAC name of 7H-isoquinolin-6-one?
The IUPAC name of 7H-isoquinolin-6-one (CID 123935586) is 7H-isoquinolin-6-one.
What is the SMILES notation for 7H-isoquinolin-6-one?
The canonical SMILES for 7H-isoquinolin-6-one is O=C1C=c2ccncc2=CC1.
What is the InChIKey of 7H-isoquinolin-6-one?
The InChIKey is CHOKMNLBCCUZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1,3-6H,2H2.
What are the key properties of 7H-isoquinolin-6-one?
7H-isoquinolin-6-one has a molecular weight of 145.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-isoquinolin-6-one is sourced from PubChem (CID 123935586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).