6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline

C26H23F2NO — CID 170149031

IUPAC6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline
SMILESCc1cc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(F)c2)nc2ccc(F)cc12
InChIInChI=1S/C26H23F2NO/c1-16-13-25(29-24-12-8-19(27)15-22(16)24)18-7-11-21(23(28)14-18)17-5-9-20(10-6-17)30-26(2,3)4/h5-15H,1-4H3
InChIKeyWOETXMGRWCEJIF-UHFFFAOYSA-N
MW403.47 g/mol
LogP7.33
Rot. Bonds3

About 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline

6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline (PubChem CID 170149031) has the molecular formula C26H23F2NO and a molecular weight of 403.47 g/mol. Its IUPAC name is 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline.

Molecular Properties

Compound Name6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline
PubChem CID170149031
Molecular FormulaC26H23F2NO
Molecular Weight403.47 g/mol
Exact Mass403.17
IUPAC Name6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline
SMILESCc1cc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(F)c2)nc2ccc(F)cc12
InChIInChI=1S/C26H23F2NO/c1-16-13-25(29-24-12-8-19(27)15-22(16)24)18-7-11-21(23(28)14-18)17-5-9-20(10-6-17)30-26(2,3)4/h5-15H,1-4H3
InChIKeyWOETXMGRWCEJIF-UHFFFAOYSA-N
XLogP7.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-butoxyphenyl)-3-fluorophenyl]-6-fluoro-4-methylquinoline
CID 170148996
6-fluoro-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]quinoline-4-carbaldehyde
CID 170149207
2-[4-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-3-fluorophenyl]-4-methyl-6-(trifluoromethyl)quinoline
CID 170149105
[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane
CID 170149479
6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 156547298
6-fluoro-2-[4-[2-(methoxymethyl)phenyl]phenyl]-4-methylquinoline
CID 170148664
[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane
CID 170148962
2-[3-fluoro-4-(4-pentoxyphenyl)phenyl]-6-methylquinoline-4-carbaldehyde
CID 170149077
2-[4-[4-(dimethylamino)phenyl]-3-fluorophenyl]-6-methylquinoline-4-carbaldehyde
CID 170149113
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline?
The IUPAC name of 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline (CID 170149031) is 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline.
What is the SMILES notation for 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline?
The canonical SMILES for 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline is Cc1cc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(F)c2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline?
The InChIKey is WOETXMGRWCEJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO/c1-16-13-25(29-24-12-8-19(27)15-22(16)24)18-7-11-21(23(28)14-18)17-5-9-20(10-6-17)30-26(2,3)4/h5-15H,1-4H3.
What are the key properties of 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline?
6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline has a molecular weight of 403.47 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-fluoro-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-methylquinoline is sourced from PubChem (CID 170149031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).