[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol

C23H17F2NO — CID 10338613

IUPAC[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1CO
InChIInChI=1S/C23H17F2NO/c1-14-20(13-27)19-12-17(24)10-11-22(19)26-23(14)16-8-6-15(7-9-16)18-4-2-3-5-21(18)25/h2-12,27H,13H2,1H3
InChIKeyDOOFWTLRQULDDT-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.65
Rot. Bonds3

About [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol

[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol (PubChem CID 10338613) has the molecular formula C23H17F2NO and a molecular weight of 361.39 g/mol. Its IUPAC name is [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol.

Molecular Properties

Compound Name[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
PubChem CID10338613
Molecular FormulaC23H17F2NO
Molecular Weight361.39 g/mol
Exact Mass361.13
IUPAC Name[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1CO
InChIInChI=1S/C23H17F2NO/c1-14-20(13-27)19-12-17(24)10-11-22(19)26-23(14)16-8-6-15(7-9-16)18-4-2-3-5-21(18)25/h2-12,27H,13H2,1H3
InChIKeyDOOFWTLRQULDDT-UHFFFAOYSA-N
XLogP5.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol?
The IUPAC name of [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol (CID 10338613) is [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol.
What is the SMILES notation for [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol?
The canonical SMILES for [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol is Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1CO.
What is the InChIKey of [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol?
The InChIKey is DOOFWTLRQULDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO/c1-14-20(13-27)19-12-17(24)10-11-22(19)26-23(14)16-8-6-15(7-9-16)18-4-2-3-5-21(18)25/h2-12,27H,13H2,1H3.
What are the key properties of [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol?
[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol has a molecular weight of 361.39 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol is sourced from PubChem (CID 10338613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).