4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one

C14H19NO — CID 19707379

IUPAC4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one
SMILESCC12CCC3C=CC=CC3C1CC(=O)CN2
InChIInChI=1S/C14H19NO/c1-14-7-6-10-4-2-3-5-12(10)13(14)8-11(16)9-15-14/h2-5,10,12-13,15H,6-9H2,1H3
InChIKeyHTPINBDWNDZMIG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.08
Rot. Bonds

About 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one

4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one (PubChem CID 19707379) 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,10a,10b-octahydrobenzo[f]quinolin-2-one.

Molecular Properties

Compound Name4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one
PubChem CID19707379
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one
SMILESCC12CCC3C=CC=CC3C1CC(=O)CN2
InChIInChI=1S/C14H19NO/c1-14-7-6-10-4-2-3-5-12(10)13(14)8-11(16)9-15-14/h2-5,10,12-13,15H,6-9H2,1H3
InChIKeyHTPINBDWNDZMIG-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one?
The IUPAC name of 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one (CID 19707379) is 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one.
What is the SMILES notation for 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one?
The canonical SMILES for 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one is CC12CCC3C=CC=CC3C1CC(=O)CN2.
What is the InChIKey of 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one?
The InChIKey is HTPINBDWNDZMIG-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/h2-5,10,12-13,15H,6-9H2,1H3.
What are the key properties of 4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one?
4a-methyl-1,3,4,5,6,6a,10a,10b-octahydrobenzo[f]quinolin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.08, 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,10a,10b-octahydrobenzo[f]quinolin-2-one is sourced from PubChem (CID 19707379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).