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

C16H12ClNO — CID 44530971

IUPAC3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c1-10-15(11-6-8-12(17)9-7-11)16(19)13-4-2-3-5-14(13)18-10/h2-9H,1H3,(H,18,19)
InChIKeyCSPZDPJCEXYHQY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.16
Rot. Bonds1

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

3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one (PubChem CID 44530971) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one
PubChem CID44530971
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c1-10-15(11-6-8-12(17)9-7-11)16(19)13-4-2-3-5-14(13)18-10/h2-9H,1H3,(H,18,19)
InChIKeyCSPZDPJCEXYHQY-UHFFFAOYSA-N
XLogP4.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one (CID 44530971) is 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one?
The InChIKey is CSPZDPJCEXYHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-15(11-6-8-12(17)9-7-11)16(19)13-4-2-3-5-14(13)18-10/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one?
3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one has a molecular weight of 269.73 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 44530971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).