8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one

C16H11Cl2NO — CID 11120236

IUPAC8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2[nH]1
InChIInChI=1S/C16H11Cl2NO/c1-9-7-15(20)13-4-2-3-12(16(13)19-9)11-6-5-10(17)8-14(11)18/h2-8H,1H3,(H,19,20)
InChIKeyVYPXHRUYISNLQD-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.81
Rot. Bonds1

About 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one

8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one (PubChem CID 11120236) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one
PubChem CID11120236
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2[nH]1
InChIInChI=1S/C16H11Cl2NO/c1-9-7-15(20)13-4-2-3-12(16(13)19-9)11-6-5-10(17)8-14(11)18/h2-8H,1H3,(H,19,20)
InChIKeyVYPXHRUYISNLQD-UHFFFAOYSA-N
XLogP4.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one (CID 11120236) is 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2[nH]1.
What is the InChIKey of 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one?
The InChIKey is VYPXHRUYISNLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-9-7-15(20)13-4-2-3-12(16(13)19-9)11-6-5-10(17)8-14(11)18/h2-8H,1H3,(H,19,20).
What are the key properties of 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one?
8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one has a molecular weight of 304.18 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 11120236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).