[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol

C24H19F3N2O — CID 66913974

IUPAC[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol
SMILESCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Nc2cccc(CO)c2)c1
InChIInChI=1S/C24H19F3N2O/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)29-18-7-2-5-16(11-18)14-30/h2-13,29-30H,14H2,1H3
InChIKeyUMHVAXJEYBVBDT-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.46
Rot. Bonds4

About [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol

[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol (PubChem CID 66913974) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol
PubChem CID66913974
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol
SMILESCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Nc2cccc(CO)c2)c1
InChIInChI=1S/C24H19F3N2O/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)29-18-7-2-5-16(11-18)14-30/h2-13,29-30H,14H2,1H3
InChIKeyUMHVAXJEYBVBDT-UHFFFAOYSA-N
XLogP6.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol?
The IUPAC name of [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol (CID 66913974) is [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol.
What is the SMILES notation for [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol?
The canonical SMILES for [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol is Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Nc2cccc(CO)c2)c1.
What is the InChIKey of [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol?
The InChIKey is UMHVAXJEYBVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)29-18-7-2-5-16(11-18)14-30/h2-13,29-30H,14H2,1H3.
What are the key properties of [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol?
[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol has a molecular weight of 408.42 g/mol, XLogP of 6.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]anilino]phenyl]methanol is sourced from PubChem (CID 66913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).