(3-methylphenyl)-(4-phenylquinolin-3-yl)methanone

C23H17NO — CID 1210226

IUPAC(3-methylphenyl)-(4-phenylquinolin-3-yl)methanone
SMILESCc1cccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3
InChIKeyHXBWIWVTSHBOCO-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.44
Rot. Bonds3

About (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone

(3-methylphenyl)-(4-phenylquinolin-3-yl)methanone (PubChem CID 1210226) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(4-phenylquinolin-3-yl)methanone
PubChem CID1210226
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name(3-methylphenyl)-(4-phenylquinolin-3-yl)methanone
SMILESCc1cccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3
InChIKeyHXBWIWVTSHBOCO-UHFFFAOYSA-N
XLogP5.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone?
The IUPAC name of (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone (CID 1210226) is (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone is Cc1cccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)c1.
What is the InChIKey of (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone?
The InChIKey is HXBWIWVTSHBOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3.
What are the key properties of (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone?
(3-methylphenyl)-(4-phenylquinolin-3-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(4-phenylquinolin-3-yl)methanone is sourced from PubChem (CID 1210226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).