4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline

C17H12BrF2NO — CID 118870226

IUPAC4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline
SMILESCc1cc(OCc2c(F)cccc2F)cc2c(Br)ccnc12
InChIInChI=1S/C17H12BrF2NO/c1-10-7-11(8-12-14(18)5-6-21-17(10)12)22-9-13-15(19)3-2-4-16(13)20/h2-8H,9H2,1H3
InChIKeyOGBSQEYGZWIUBS-UHFFFAOYSA-N
MW364.19 g/mol
LogP5.16
Rot. Bonds3

About 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline

4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline (PubChem CID 118870226) has the molecular formula C17H12BrF2NO and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline.

Molecular Properties

Compound Name4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline
PubChem CID118870226
Molecular FormulaC17H12BrF2NO
Molecular Weight364.19 g/mol
Exact Mass363.01
IUPAC Name4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline
SMILESCc1cc(OCc2c(F)cccc2F)cc2c(Br)ccnc12
InChIInChI=1S/C17H12BrF2NO/c1-10-7-11(8-12-14(18)5-6-21-17(10)12)22-9-13-15(19)3-2-4-16(13)20/h2-8H,9H2,1H3
InChIKeyOGBSQEYGZWIUBS-UHFFFAOYSA-N
XLogP5.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.19
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline-4-carboxamide
CID 118870258
4-bromo-8-fluoro-6-methylquinoline
CID 114764008
4,6-dibromo-10-methylpyrido[3,2-g]quinoline
CID 102458232
5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
CID 178141535
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783936
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
CID 139453850
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline?
The IUPAC name of 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline (CID 118870226) is 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline.
What is the SMILES notation for 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline?
The canonical SMILES for 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline is Cc1cc(OCc2c(F)cccc2F)cc2c(Br)ccnc12.
What is the InChIKey of 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline?
The InChIKey is OGBSQEYGZWIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2NO/c1-10-7-11(8-12-14(18)5-6-21-17(10)12)22-9-13-15(19)3-2-4-16(13)20/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline?
4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline has a molecular weight of 364.19 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline is sourced from PubChem (CID 118870226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).