3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one

C18H14ClNO — CID 23824842

IUPAC3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1C=Cc1ccccc1Cl
InChIInChI=1S/C18H14ClNO/c1-12-14(11-10-13-6-2-4-8-16(13)19)18(21)15-7-3-5-9-17(15)20-12/h2-11H,1H3,(H,20,21)
InChIKeyJQDGKKIXCZBSGR-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.66
Rot. Bonds2

About 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one

3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one (PubChem CID 23824842) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one
PubChem CID23824842
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1C=Cc1ccccc1Cl
InChIInChI=1S/C18H14ClNO/c1-12-14(11-10-13-6-2-4-8-16(13)19)18(21)15-7-3-5-9-17(15)20-12/h2-11H,1H3,(H,20,21)
InChIKeyJQDGKKIXCZBSGR-UHFFFAOYSA-N
XLogP4.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one (CID 23824842) is 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1C=Cc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is JQDGKKIXCZBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-12-14(11-10-13-6-2-4-8-16(13)19)18(21)15-7-3-5-9-17(15)20-12/h2-11H,1H3,(H,20,21).
What are the key properties of 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one?
3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 295.77 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 23824842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).