(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone

C22H16ClNO — CID 132572449

IUPAC(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C22H16ClNO/c23-20-12-10-17(11-13-20)22(25)24-15-19(16-6-2-1-3-7-16)14-18-8-4-5-9-21(18)24/h1-14H,15H2
InChIKeyWQFMSOXFLJNKBO-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.54
Rot. Bonds2

About (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone

(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone (PubChem CID 132572449) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone
PubChem CID132572449
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C22H16ClNO/c23-20-12-10-17(11-13-20)22(25)24-15-19(16-6-2-1-3-7-16)14-18-8-4-5-9-21(18)24/h1-14H,15H2
InChIKeyWQFMSOXFLJNKBO-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
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(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738192
4-benzoyl-1-methyl-3H-quinoxalin-2-one
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CID 134794191
[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
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4-(4-chlorophenyl)benzoyl iodide
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1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone (CID 132572449) is (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CC(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone?
The InChIKey is WQFMSOXFLJNKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c23-20-12-10-17(11-13-20)22(25)24-15-19(16-6-2-1-3-7-16)14-18-8-4-5-9-21(18)24/h1-14H,15H2.
What are the key properties of (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone?
(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 132572449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).