(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone

C22H14ClNO — CID 135033358

IUPAC(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone
SMILESO=C(c1ccccc1Cl)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H14ClNO/c23-19-12-6-4-10-16(19)22(25)18-14-24-20-13-7-5-11-17(20)21(18)15-8-2-1-3-9-15/h1-14H
InChIKeyKSYJNVMZAGHOLH-UHFFFAOYSA-N
MW343.81 g/mol
LogP5.79
Rot. Bonds3

About (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone

(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone (PubChem CID 135033358) has the molecular formula C22H14ClNO and a molecular weight of 343.81 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone
PubChem CID135033358
Molecular FormulaC22H14ClNO
Molecular Weight343.81 g/mol
Exact Mass343.08
IUPAC Name(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone
SMILESO=C(c1ccccc1Cl)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H14ClNO/c23-19-12-6-4-10-16(19)22(25)18-14-24-20-13-7-5-11-17(20)21(18)15-8-2-1-3-9-15/h1-14H
InChIKeyKSYJNVMZAGHOLH-UHFFFAOYSA-N
XLogP5.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.81
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone (CID 135033358) is (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone is O=C(c1ccccc1Cl)c1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone?
The InChIKey is KSYJNVMZAGHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO/c23-19-12-6-4-10-16(19)22(25)18-14-24-20-13-7-5-11-17(20)21(18)15-8-2-1-3-9-15/h1-14H.
What are the key properties of (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone?
(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone has a molecular weight of 343.81 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone is sourced from PubChem (CID 135033358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).