(2-methyl-4-phenylquinolin-3-yl)-phenylmethanone

C23H17NO — CID 1215171

IUPAC(2-methyl-4-phenylquinolin-3-yl)-phenylmethanone
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H17NO/c1-16-21(23(25)18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)24-16/h2-15H,1H3
InChIKeyATPPWPHWVBDYTH-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.44
Rot. Bonds3

About (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone

(2-methyl-4-phenylquinolin-3-yl)-phenylmethanone (PubChem CID 1215171) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-4-phenylquinolin-3-yl)-phenylmethanone
PubChem CID1215171
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name(2-methyl-4-phenylquinolin-3-yl)-phenylmethanone
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H17NO/c1-16-21(23(25)18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)24-16/h2-15H,1H3
InChIKeyATPPWPHWVBDYTH-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 (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
The IUPAC name of (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone (CID 1215171) is (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone is Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
The InChIKey is ATPPWPHWVBDYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-16-21(23(25)18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)24-16/h2-15H,1H3.
What are the key properties of (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
(2-methyl-4-phenylquinolin-3-yl)-phenylmethanone 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 (2-methyl-4-phenylquinolin-3-yl)-phenylmethanone is sourced from PubChem (CID 1215171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).