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

C12H12ClNO — CID 43668132

IUPAC7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2ccc(Cl)c(C)c2[nH]1
InChIInChI=1S/C12H12ClNO/c1-3-8-6-11(15)9-4-5-10(13)7(2)12(9)14-8/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyVMZZGODEFVGKAC-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.05
Rot. Bonds1

About 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one

7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one (PubChem CID 43668132) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
PubChem CID43668132
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2ccc(Cl)c(C)c2[nH]1
InChIInChI=1S/C12H12ClNO/c1-3-8-6-11(15)9-4-5-10(13)7(2)12(9)14-8/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyVMZZGODEFVGKAC-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

7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 63376863
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668304
7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 57283159
3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one
CID 84628658
2-ethyl-8-phenoxy-1H-quinolin-4-one
CID 43668337
2-ethyl-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 14916565
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
7-chloro-8-fluoro-2-methyl-1H-quinolin-4-one
CID 43667968
3-chloro-2-methylaniline;7-chloro-8-methyl-2-propan-2-yloxy-1H-quinolin-4-one;methane
CID 161190033
7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 84741031
6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381864

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one (CID 43668132) is 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one is CCc1cc(=O)c2ccc(Cl)c(C)c2[nH]1.
What is the InChIKey of 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
The InChIKey is VMZZGODEFVGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-3-8-6-11(15)9-4-5-10(13)7(2)12(9)14-8/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one?
7-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 7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 43668132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).