3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one

C13H15NO — CID 19707371

IUPAC3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
SMILESO=C1CNC2=CCC3C=CC=CC3C2C1
InChIInChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,6,9,11-12,14H,5,7-8H2
InChIKeyUXMQHPNRWRAGNB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.81
Rot. Bonds

About 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one

3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one (PubChem CID 19707371) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one.

Molecular Properties

Compound Name3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
PubChem CID19707371
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
SMILESO=C1CNC2=CCC3C=CC=CC3C2C1
InChIInChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,6,9,11-12,14H,5,7-8H2
InChIKeyUXMQHPNRWRAGNB-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-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

2,3,4a,5,6,7-hexahydro-1H-quinolin-4-one
CID 53437856
2,3,4,4a,7,8a-hexahydro-1H-quinolin-8-one
CID 56980167
2,3,4,4a,6,6a,7,8-octahydro-1H-benzo[f]quinolin-5-one
CID 67436443
2,3,4,4a,5,6a-hexahydro-1H-benzo[f]quinolin-6-one
CID 67747411
2,3,4,4a,5,7-hexahydro-1H-quinolin-6-one
CID 67935573
2,4,4a,5-tetrahydro-1H-quinolin-3-one
CID 68793250
3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one
CID 70192241
2,3,4,4a,6,6a-hexahydro-1H-benzo[f]quinolin-5-one
CID 70255229
4a-Methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one
CID 70300983
1-(10-Azatricyclo[7.3.1.02,7]trideca-3,5,8-trien-13-yl)octan-3-one
CID 70558918
1-(2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinolin-2-yl)but-3-en-1-one
CID 70597701
(3S)-4-(6-methylcyclohexa-1,3-dien-1-yl)-3-[[(3S)-3-methylhept-1-en-2-yl]amino]butan-2-one
CID 89305985

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
The IUPAC name of 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one (CID 19707371) is 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one.
What is the SMILES notation for 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
The canonical SMILES for 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one is O=C1CNC2=CCC3C=CC=CC3C2C1.
What is the InChIKey of 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
The InChIKey is UXMQHPNRWRAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,6,9,11-12,14H,5,7-8H2.
What are the key properties of 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one is sourced from PubChem (CID 19707371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).