6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one

C12H12ClNO — CID 43668304

IUPAC6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(Cl)cc(C)c2[nH]1
InChIInChI=1S/C12H12ClNO/c1-3-9-6-11(15)10-5-8(13)4-7(2)12(10)14-9/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyDXBYOBFIWHMTCR-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.05
Rot. Bonds1

About 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one

6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one (PubChem CID 43668304) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
PubChem CID43668304
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(Cl)cc(C)c2[nH]1
InChIInChI=1S/C12H12ClNO/c1-3-9-6-11(15)10-5-8(13)4-7(2)12(10)14-9/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyDXBYOBFIWHMTCR-UHFFFAOYSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid
CID 82244994
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668132
6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
CID 43668195
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824
6-chloro-4-hydroxy-8-methyl-1H-quinolin-2-one
CID 54680219
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43806738
6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
CID 104845926
4,6-dichloro-2-ethyl-1H-indole
CID 20828571
2-ethyl-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 14916565
2-ethyl-8-phenoxy-1H-quinolin-4-one
CID 43668337

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one (CID 43668304) is 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one is CCc1cc(=O)c2cc(Cl)cc(C)c2[nH]1.
What is the InChIKey of 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
The InChIKey is DXBYOBFIWHMTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-3-9-6-11(15)10-5-8(13)4-7(2)12(10)14-9/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one has a molecular weight of 221.69 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 43668304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).