2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline

C18H15F2NO2 — CID 169417094

IUPAC2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline
SMILESCOc1cc2nc(-c3c(F)cccc3F)cc(C)c2cc1OC
InChIInChI=1S/C18H15F2NO2/c1-10-7-15(18-12(19)5-4-6-13(18)20)21-14-9-17(23-3)16(22-2)8-11(10)14/h4-9H,1-3H3
InChIKeySPDJKUYCJPGYPV-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.51
Rot. Bonds3

About 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline

2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline (PubChem CID 169417094) has the molecular formula C18H15F2NO2 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline
PubChem CID169417094
Molecular FormulaC18H15F2NO2
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline
SMILESCOc1cc2nc(-c3c(F)cccc3F)cc(C)c2cc1OC
InChIInChI=1S/C18H15F2NO2/c1-10-7-15(18-12(19)5-4-6-13(18)20)21-14-9-17(23-3)16(22-2)8-11(10)14/h4-9H,1-3H3
InChIKeySPDJKUYCJPGYPV-UHFFFAOYSA-N
XLogP4.51
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
CID 169418540
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237
2-(6,7-dimethoxy-4-methylquinolin-2-yl)-6-methoxyphenol
CID 169417890
2-[2-(2-fluoro-6-methoxyphenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414091
4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride
CID 136527491
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
1-(6,7-dimethoxy-4-methylquinolin-2-yl)ethanol
CID 82576000
6,7-dimethoxy-N,N,4-trimethylquinolin-2-amine
CID 135106538
4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70192478
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propan-1-ol
CID 70764320
2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine
CID 19610813

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline?
The IUPAC name of 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline (CID 169417094) is 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline.
What is the SMILES notation for 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline?
The canonical SMILES for 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline is COc1cc2nc(-c3c(F)cccc3F)cc(C)c2cc1OC.
What is the InChIKey of 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline?
The InChIKey is SPDJKUYCJPGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2/c1-10-7-15(18-12(19)5-4-6-13(18)20)21-14-9-17(23-3)16(22-2)8-11(10)14/h4-9H,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline?
2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline has a molecular weight of 315.32 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline is sourced from PubChem (CID 169417094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).