8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one

C14H14BrNO — CID 22909503

IUPAC8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CCC2=C1CCc1cc(Br)ccc12
InChIInChI=1S/C14H14BrNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3
InChIKeyVOWRIJSGPXGDQL-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.36
Rot. Bonds

About 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one

8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one (PubChem CID 22909503) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
PubChem CID22909503
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CCC2=C1CCc1cc(Br)ccc12
InChIInChI=1S/C14H14BrNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3
InChIKeyVOWRIJSGPXGDQL-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
The IUPAC name of 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one (CID 22909503) is 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one is CN1C(=O)CCC2=C1CCc1cc(Br)ccc12.
What is the InChIKey of 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
The InChIKey is VOWRIJSGPXGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one has a molecular weight of 292.18 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 22909503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).