2,4-dihydroquinolizin-3-one

C9H9NO — CID 7095543

IUPAC2,4-dihydroquinolizin-3-one
SMILESO=C1CC=C2C=CC=CN2C1
InChIInChI=1S/C9H9NO/c11-9-5-4-8-3-1-2-6-10(8)7-9/h1-4,6H,5,7H2
InChIKeyWZCXJNBOOQLKKD-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.23
Rot. Bonds

About 2,4-dihydroquinolizin-3-one

2,4-dihydroquinolizin-3-one (PubChem CID 7095543) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,4-dihydroquinolizin-3-one.

Molecular Properties

Compound Name2,4-dihydroquinolizin-3-one
PubChem CID7095543
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2,4-dihydroquinolizin-3-one
SMILESO=C1CC=C2C=CC=CN2C1
InChIInChI=1S/C9H9NO/c11-9-5-4-8-3-1-2-6-10(8)7-9/h1-4,6H,5,7H2
InChIKeyWZCXJNBOOQLKKD-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dihydroquinolizin-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

Quinolizinone
CID 7095278
2-Fluoro-4,9a-dihydroquinolizin-1-one
CID 141605819
4,6-Dihydroquinolizin-3-one
CID 17894112
2,4-Dihydroquinolizin-3-one;hydrochloride
CID 17993292
3,4-Dihydroquinolizin-2-one
CID 19840729
2,6-Dihydroquinolizin-1-one
CID 20519094
2,3,4,9a-Tetrahydroquinolizin-1-one
CID 22988046
3,4-Dihydroquinolizin-2-one;hydrochloride
CID 23199174
1,6-Dihydroquinolizin-2-one
CID 57176848
1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone
CID 58692968
1-(1-methyl-2H-pyridin-2-yl)ethanone
CID 67183736
1-(1-prop-2-enyl-2H-pyridin-2-yl)ethanone
CID 67183819

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroquinolizin-3-one?
The IUPAC name of 2,4-dihydroquinolizin-3-one (CID 7095543) is 2,4-dihydroquinolizin-3-one.
What is the SMILES notation for 2,4-dihydroquinolizin-3-one?
The canonical SMILES for 2,4-dihydroquinolizin-3-one is O=C1CC=C2C=CC=CN2C1.
What is the InChIKey of 2,4-dihydroquinolizin-3-one?
The InChIKey is WZCXJNBOOQLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-4-8-3-1-2-6-10(8)7-9/h1-4,6H,5,7H2.
What are the key properties of 2,4-dihydroquinolizin-3-one?
2,4-dihydroquinolizin-3-one has a molecular weight of 147.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroquinolizin-3-one is sourced from PubChem (CID 7095543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).