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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Related Compounds

2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
[6-Chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate
CID 130247111
[6-Chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate
CID 130248127
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate
CID 130267482
6-Chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline
CID 2809389
2-Chloro-7-methoxy-4-methylquinoline
CID 732214
4-N-(2-chloro-6-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 48032
8-(2,4-Dichloro-phenyl)-4-methoxy-2-methyl-quinoline
CID 44341634
[8-(4-Chloro-phenyl)-7-methoxy-2-methyl-quinolin-4-yl]-dipropyl-amine
CID 44341714
N-(2-chloro-6-methoxyacridin-9-yl)-N',N'-dipropylpropane-1,3-diamine
CID 44416276
N-(2-chloro-6-methoxyacridin-9-yl)-N'-ethyl-N'-propylpropane-1,3-diamine
CID 44416328
(E)-3-[6-chloro-4-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-ol
CID 73349482

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).