3-hydroxy-4aH-quinolin-2-one

C9H7NO2 — CID 73455986

IUPAC3-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=CC=CC2C=C1O
InChIInChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-6,11H
InChIKeyKOJYXASVPXAEGV-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.15
Rot. Bonds

About 3-hydroxy-4aH-quinolin-2-one

3-hydroxy-4aH-quinolin-2-one (PubChem CID 73455986) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name3-hydroxy-4aH-quinolin-2-one
PubChem CID73455986
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name3-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=CC=CC2C=C1O
InChIInChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-6,11H
InChIKeyKOJYXASVPXAEGV-UHFFFAOYSA-N
XLogP1.15
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-3-hydroxy-4aH-quinolin-2-one
CID 74043679
7-fluoro-4-hydroxy-4aH-quinolin-2-one
CID 76212534
4-hydroxy-4aH-quinolin-2-one
CID 71303372
4aH-quinolin-2-one
CID 72541205
8-hydroxy-4aH-quinolin-2-one
CID 73629614
3-hydroxy-5-methyl-4aH-quinolin-2-one
CID 73801996
5,7-dichloro-3-hydroxy-4aH-quinolin-2-one
CID 74043639
3-Hydroxy-6-methylidenequinolin-2-one
CID 74377236
3-hydroxy-7-methyl-4aH-quinolin-2-one
CID 74936429
3-Hydroxy-8-methylidenequinolin-2-one
CID 74936483
3-hydroxy-4-methyl-4aH-quinolin-2-one
CID 74940671
8-hydroxy-6-methyl-4aH-quinolin-2-one
CID 76851635

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 3-hydroxy-4aH-quinolin-2-one (CID 73455986) is 3-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 3-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 3-hydroxy-4aH-quinolin-2-one is O=C1N=C2C=CC=CC2C=C1O.
What is the InChIKey of 3-hydroxy-4aH-quinolin-2-one?
The InChIKey is KOJYXASVPXAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-6,11H.
What are the key properties of 3-hydroxy-4aH-quinolin-2-one?
3-hydroxy-4aH-quinolin-2-one has a molecular weight of 161.16 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 73455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).