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

C23H16ClNO — CID 54613198

IUPAC(6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H16ClNO/c1-15-21(23(26)17-10-6-3-7-11-17)22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-15/h2-14H,1H3
InChIKeyVYBROXOMGDYXBG-UHFFFAOYSA-N
MW357.84 g/mol
LogP6.09
Rot. Bonds3

About (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone

(6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone (PubChem CID 54613198) has the molecular formula C23H16ClNO and a molecular weight of 357.84 g/mol. Its IUPAC name is (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone
PubChem CID54613198
Molecular FormulaC23H16ClNO
Molecular Weight357.84 g/mol
Exact Mass357.09
IUPAC Name(6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H16ClNO/c1-15-21(23(26)17-10-6-3-7-11-17)22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-15/h2-14H,1H3
InChIKeyVYBROXOMGDYXBG-UHFFFAOYSA-N
XLogP6.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
The IUPAC name of (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone (CID 54613198) is (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone.
What is the SMILES notation for (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
The canonical SMILES for (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
The InChIKey is VYBROXOMGDYXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO/c1-15-21(23(26)17-10-6-3-7-11-17)22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-15/h2-14H,1H3.
What are the key properties of (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone?
(6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone has a molecular weight of 357.84 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-4-phenylquinolin-3-yl)-phenylmethanone is sourced from PubChem (CID 54613198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).