8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one

C13H14ClNO — CID 107628016

IUPAC8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(Cl)ccc(C)c2c(=O)c1C
InChIInChI=1S/C13H14ClNO/c1-4-10-8(3)13(16)11-7(2)5-6-9(14)12(11)15-10/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyZKNCKUMNEXIPDW-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.36
Rot. Bonds1

About 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one

8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one (PubChem CID 107628016) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one
PubChem CID107628016
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(Cl)ccc(C)c2c(=O)c1C
InChIInChI=1S/C13H14ClNO/c1-4-10-8(3)13(16)11-7(2)5-6-9(14)12(11)15-10/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyZKNCKUMNEXIPDW-UHFFFAOYSA-N
XLogP3.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one (CID 107628016) is 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one is CCc1[nH]c2c(Cl)ccc(C)c2c(=O)c1C.
What is the InChIKey of 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one?
The InChIKey is ZKNCKUMNEXIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-4-10-8(3)13(16)11-7(2)5-6-9(14)12(11)15-10/h5-6H,4H2,1-3H3,(H,15,16).
What are the key properties of 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one?
8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one has a molecular weight of 235.71 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 107628016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).