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

C14H14ClNO — CID 19707314

IUPAC8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CC=C2c3ccc(Cl)cc3CCC21
InChIInChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-5,8,13H,2,6-7H2,1H3
InChIKeyJKOSTHTUOUOXQH-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.90
Rot. Bonds

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

8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one (PubChem CID 19707314) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one
PubChem CID19707314
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CC=C2c3ccc(Cl)cc3CCC21
InChIInChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-5,8,13H,2,6-7H2,1H3
InChIKeyJKOSTHTUOUOXQH-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one?
The IUPAC name of 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one (CID 19707314) is 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one is CN1C(=O)CC=C2c3ccc(Cl)cc3CCC21.
What is the InChIKey of 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one?
The InChIKey is JKOSTHTUOUOXQH-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/h3-5,8,13H,2,6-7H2,1H3.
What are the key properties of 8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one?
8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one has a molecular weight of 247.72 g/mol, XLogP of 2.90, 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-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 19707314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).