8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one

C15H18BrNO — CID 19707361

IUPAC8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCC1(C)CC2NC(=O)CCC2c2ccc(Br)cc21
InChIInChI=1S/C15H18BrNO/c1-15(2)8-13-11(5-6-14(18)17-13)10-4-3-9(16)7-12(10)15/h3-4,7,11,13H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyOXJGTSBFTXNAFO-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.49
Rot. Bonds

About 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one

8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 19707361) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID19707361
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCC1(C)CC2NC(=O)CCC2c2ccc(Br)cc21
InChIInChI=1S/C15H18BrNO/c1-15(2)8-13-11(5-6-14(18)17-13)10-4-3-9(16)7-12(10)15/h3-4,7,11,13H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyOXJGTSBFTXNAFO-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one (CID 19707361) is 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one is CC1(C)CC2NC(=O)CCC2c2ccc(Br)cc21.
What is the InChIKey of 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is OXJGTSBFTXNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-15(2)8-13-11(5-6-14(18)17-13)10-4-3-9(16)7-12(10)15/h3-4,7,11,13H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one?
8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 308.22 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,6-dimethyl-1,2,4,4a,5,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 19707361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).