4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline

C24H19Cl2NO — CID 170432136

IUPAC4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccccc4C)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C24H19Cl2NO/c1-14-6-4-5-7-18(14)16-8-10-17(11-9-16)23-15(2)27-21-13-22(28-3)20(25)12-19(21)24(23)26/h4-13H,1-3H3
InChIKeyBLBRGARYPOJXMV-UHFFFAOYSA-N
MW408.33 g/mol
LogP7.50
Rot. Bonds3

About 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline

4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline (PubChem CID 170432136) has the molecular formula C24H19Cl2NO and a molecular weight of 408.33 g/mol. Its IUPAC name is 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline
PubChem CID170432136
Molecular FormulaC24H19Cl2NO
Molecular Weight408.33 g/mol
Exact Mass407.08
IUPAC Name4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccccc4C)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C24H19Cl2NO/c1-14-6-4-5-7-18(14)16-8-10-17(11-9-16)23-15(2)27-21-13-22(28-3)20(25)12-19(21)24(23)26/h4-13H,1-3H3
InChIKeyBLBRGARYPOJXMV-UHFFFAOYSA-N
XLogP7.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline
CID 170432391
4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline
CID 170432212
4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline
CID 170432061
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
CID 157046873
6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine
CID 70192475
4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
CID 59631212
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
CID 56952735
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate
CID 130247516
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412
[6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl] 2,2-dimethylpropanoate
CID 126483299

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline?
The IUPAC name of 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline (CID 170432136) is 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline.
What is the SMILES notation for 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline?
The canonical SMILES for 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline is COc1cc2nc(C)c(-c3ccc(-c4ccccc4C)cc3)c(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline?
The InChIKey is BLBRGARYPOJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO/c1-14-6-4-5-7-18(14)16-8-10-17(11-9-16)23-15(2)27-21-13-22(28-3)20(25)12-19(21)24(23)26/h4-13H,1-3H3.
What are the key properties of 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline?
4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline has a molecular weight of 408.33 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline is sourced from PubChem (CID 170432136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).