7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol

C27H25F2NO — CID 71056540

IUPAC7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol
SMILESCCCCc1cc(Cc2ccc(F)cc2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C27H25F2NO/c1-2-3-4-21-16-22(14-19-7-11-24(29)12-8-19)25-15-20(17-30-26(25)27(21)31)13-18-5-9-23(28)10-6-18/h5-12,15-17,31H,2-4,13-14H2,1H3
InChIKeyGECLTQPXLXTKLO-UHFFFAOYSA-N
MW417.50 g/mol
LogP6.74
Rot. Bonds7

About 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol

7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol (PubChem CID 71056540) has the molecular formula C27H25F2NO and a molecular weight of 417.50 g/mol. Its IUPAC name is 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol
PubChem CID71056540
Molecular FormulaC27H25F2NO
Molecular Weight417.50 g/mol
Exact Mass417.19
IUPAC Name7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol
SMILESCCCCc1cc(Cc2ccc(F)cc2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C27H25F2NO/c1-2-3-4-21-16-22(14-19-7-11-24(29)12-8-19)25-15-20(17-30-26(25)27(21)31)13-18-5-9-23(28)10-6-18/h5-12,15-17,31H,2-4,13-14H2,1H3
InChIKeyGECLTQPXLXTKLO-UHFFFAOYSA-N
XLogP6.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol (CID 71056540) is 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol is CCCCc1cc(Cc2ccc(F)cc2)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol?
The InChIKey is GECLTQPXLXTKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2NO/c1-2-3-4-21-16-22(14-19-7-11-24(29)12-8-19)25-15-20(17-30-26(25)27(21)31)13-18-5-9-23(28)10-6-18/h5-12,15-17,31H,2-4,13-14H2,1H3.
What are the key properties of 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol?
7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol has a molecular weight of 417.50 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 71056540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).