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

C14H14ClNO — CID 10243712

IUPAC8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CCC2=C1CCc1cc(Cl)ccc12
InChIInChI=1S/C14H14ClNO/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
InChIKeyZGWJLFQGIWFVSR-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.25
Rot. Bonds

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

8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one (PubChem CID 10243712) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
PubChem CID10243712
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CCC2=C1CCc1cc(Cl)ccc12
InChIInChI=1S/C14H14ClNO/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
InChIKeyZGWJLFQGIWFVSR-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
The IUPAC name of 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one (CID 10243712) is 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one is CN1C(=O)CCC2=C1CCc1cc(Cl)ccc12.
What is the InChIKey of 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
The InChIKey is ZGWJLFQGIWFVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/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-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one?
8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one has a molecular weight of 247.72 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 10243712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).