4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one

C14H19NO — CID 70300983

IUPAC4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one
SMILESCC12CCC3CCC=CC3=C1CC(=O)CN2
InChIInChI=1S/C14H19NO/c1-14-7-6-10-4-2-3-5-12(10)13(14)8-11(16)9-15-14/h3,5,10,15H,2,4,6-9H2,1H3
InChIKeyVNIBOXVASRWNJL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.36
Rot. Bonds

About 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one

4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one (PubChem CID 70300983) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one.

Molecular Properties

Compound Name4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one
PubChem CID70300983
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one
SMILESCC12CCC3CCC=CC3=C1CC(=O)CN2
InChIInChI=1S/C14H19NO/c1-14-7-6-10-4-2-3-5-12(10)13(14)8-11(16)9-15-14/h3,5,10,15H,2,4,6-9H2,1H3
InChIKeyVNIBOXVASRWNJL-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one with MolForge

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Related Compounds

2-Cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one
CID 156803318
(2S)-2-(5-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-2-(methylamino)cyclohexan-1-one
CID 156803440
2,2-Dimethyl-8-azachromanone
CID 145994940
2,3,4,4a,5,6a-hexahydro-1H-benzo[h]isoquinolin-6-one;hydrochloride
CID 18361986
2,3,4,4a,5,6a-hexahydro-1H-benzo[h]isoquinolin-6-one
CID 18361987
(4aS,10aS)-2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 18601387
2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
CID 19707352
3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
CID 19707371
4a-Methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one
CID 19707379
2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 20250045
2,4,4a,8a-tetrahydro-1H-quinolin-3-one
CID 53739267
(1R,10S)-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
CID 58433015

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one?
The IUPAC name of 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one (CID 70300983) is 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one.
What is the SMILES notation for 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one?
The canonical SMILES for 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one is CC12CCC3CCC=CC3=C1CC(=O)CN2.
What is the InChIKey of 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one?
The InChIKey is VNIBOXVASRWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-7-6-10-4-2-3-5-12(10)13(14)8-11(16)9-15-14/h3,5,10,15H,2,4,6-9H2,1H3.
What are the key properties of 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one?
4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-1,3,4,5,6,6a,7,8-octahydrobenzo[f]quinolin-2-one is sourced from PubChem (CID 70300983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).