4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline

C23H16Cl3NO — CID 170432171

IUPAC4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccc(Cl)cc4)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C23H16Cl3NO/c1-13-22(23(26)18-11-19(25)21(28-2)12-20(18)27-13)16-5-3-14(4-6-16)15-7-9-17(24)10-8-15/h3-12H,1-2H3
InChIKeyHHMKVQMVVNVICV-UHFFFAOYSA-N
MW428.75 g/mol
LogP7.85
Rot. Bonds3

About 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline

4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline (PubChem CID 170432171) has the molecular formula C23H16Cl3NO and a molecular weight of 428.75 g/mol. Its IUPAC name is 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
PubChem CID170432171
Molecular FormulaC23H16Cl3NO
Molecular Weight428.75 g/mol
Exact Mass427.03
IUPAC Name4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccc(Cl)cc4)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C23H16Cl3NO/c1-13-22(23(26)18-11-19(25)21(28-2)12-20(18)27-13)16-5-3-14(4-6-16)15-7-9-17(24)10-8-15/h3-12H,1-2H3
InChIKeyHHMKVQMVVNVICV-UHFFFAOYSA-N
XLogP7.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline?
The IUPAC name of 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline (CID 170432171) is 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline.
What is the SMILES notation for 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline?
The canonical SMILES for 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline is COc1cc2nc(C)c(-c3ccc(-c4ccc(Cl)cc4)cc3)c(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline?
The InChIKey is HHMKVQMVVNVICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3NO/c1-13-22(23(26)18-11-19(25)21(28-2)12-20(18)27-13)16-5-3-14(4-6-16)15-7-9-17(24)10-8-15/h3-12H,1-2H3.
What are the key properties of 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline?
4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline has a molecular weight of 428.75 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline is sourced from PubChem (CID 170432171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).