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

C22H14ClNO2 — CID 132534397

IUPAC2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
SMILESO=C(c1ccccc1)c1[nH]c2ccccc2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClNO2/c23-16-12-10-14(11-13-16)19-20(21(25)15-6-2-1-3-7-15)24-18-9-5-4-8-17(18)22(19)26/h1-13H,(H,24,26)
InChIKeyPXUZNSHEWVBOJX-UHFFFAOYSA-N
MW359.81 g/mol
LogP5.08
Rot. Bonds3

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

2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one (PubChem CID 132534397) has the molecular formula C22H14ClNO2 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
PubChem CID132534397
Molecular FormulaC22H14ClNO2
Molecular Weight359.81 g/mol
Exact Mass359.07
IUPAC Name2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
SMILESO=C(c1ccccc1)c1[nH]c2ccccc2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClNO2/c23-16-12-10-14(11-13-16)19-20(21(25)15-6-2-1-3-7-15)24-18-9-5-4-8-17(18)22(19)26/h1-13H,(H,24,26)
InChIKeyPXUZNSHEWVBOJX-UHFFFAOYSA-N
XLogP5.08
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one?
The IUPAC name of 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one (CID 132534397) is 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one is O=C(c1ccccc1)c1[nH]c2ccccc2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one?
The InChIKey is PXUZNSHEWVBOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO2/c23-16-12-10-14(11-13-16)19-20(21(25)15-6-2-1-3-7-15)24-18-9-5-4-8-17(18)22(19)26/h1-13H,(H,24,26).
What are the key properties of 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one?
2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one has a molecular weight of 359.81 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one is sourced from PubChem (CID 132534397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).