(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone

C23H15Cl2NO — CID 22136492

IUPAC(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
SMILESCc1cc(-c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C23H15Cl2NO/c1-14-11-20(16-3-2-4-19(25)12-16)21-13-17(7-10-22(21)26-14)23(27)15-5-8-18(24)9-6-15/h2-13H,1H3
InChIKeyBMPXEHUKNSMGTJ-UHFFFAOYSA-N
MW392.29 g/mol
LogP6.75
Rot. Bonds3

About (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone

(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone (PubChem CID 22136492) has the molecular formula C23H15Cl2NO and a molecular weight of 392.29 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
PubChem CID22136492
Molecular FormulaC23H15Cl2NO
Molecular Weight392.29 g/mol
Exact Mass391.05
IUPAC Name(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
SMILESCc1cc(-c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C23H15Cl2NO/c1-14-11-20(16-3-2-4-19(25)12-16)21-13-17(7-10-22(21)26-14)23(27)15-5-8-18(24)9-6-15/h2-13H,1H3
InChIKeyBMPXEHUKNSMGTJ-UHFFFAOYSA-N
XLogP6.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone (CID 22136492) is (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone is Cc1cc(-c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone?
The InChIKey is BMPXEHUKNSMGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO/c1-14-11-20(16-3-2-4-19(25)12-16)21-13-17(7-10-22(21)26-14)23(27)15-5-8-18(24)9-6-15/h2-13H,1H3.
What are the key properties of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone?
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone has a molecular weight of 392.29 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone is sourced from PubChem (CID 22136492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).