3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline

C28H20ClN — CID 170294742

IUPAC3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2ccc3cc(-c4ccc(-c5ccc(Cl)cc5)cc4)cnc3c2)cc1
InChIInChI=1S/C28H20ClN/c1-19-2-4-22(5-3-19)24-10-11-25-16-26(18-30-28(25)17-24)23-8-6-20(7-9-23)21-12-14-27(29)15-13-21/h2-18H,1H3
InChIKeyKYWKWYAYQPWLQX-UHFFFAOYSA-N
MW405.93 g/mol
LogP8.20
Rot. Bonds3

About 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline

3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline (PubChem CID 170294742) has the molecular formula C28H20ClN and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline
PubChem CID170294742
Molecular FormulaC28H20ClN
Molecular Weight405.93 g/mol
Exact Mass405.13
IUPAC Name3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2ccc3cc(-c4ccc(-c5ccc(Cl)cc5)cc4)cnc3c2)cc1
InChIInChI=1S/C28H20ClN/c1-19-2-4-22(5-3-19)24-10-11-25-16-26(18-30-28(25)17-24)23-8-6-20(7-9-23)21-12-14-27(29)15-13-21/h2-18H,1H3
InChIKeyKYWKWYAYQPWLQX-UHFFFAOYSA-N
XLogP8.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline?
The IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline (CID 170294742) is 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline.
What is the SMILES notation for 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline?
The canonical SMILES for 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline is Cc1ccc(-c2ccc3cc(-c4ccc(-c5ccc(Cl)cc5)cc4)cnc3c2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline?
The InChIKey is KYWKWYAYQPWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN/c1-19-2-4-22(5-3-19)24-10-11-25-16-26(18-30-28(25)17-24)23-8-6-20(7-9-23)21-12-14-27(29)15-13-21/h2-18H,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline?
3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline has a molecular weight of 405.93 g/mol, XLogP of 8.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline is sourced from PubChem (CID 170294742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).