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

C24H19F3N2O — CID 174518736

IUPAC[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1
InChIInChI=1S/C24H19F3N2O/c25-24(26,27)22-6-2-5-21-20(11-12-28-23(21)22)18-3-1-4-19(13-18)29-14-16-7-9-17(15-30)10-8-16/h1-13,29-30H,14-15H2
InChIKeyCCSRGAMBROUBKP-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.03
Rot. Bonds5

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

[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol (PubChem CID 174518736) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
PubChem CID174518736
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1
InChIInChI=1S/C24H19F3N2O/c25-24(26,27)22-6-2-5-21-20(11-12-28-23(21)22)18-3-1-4-19(13-18)29-14-16-7-9-17(15-30)10-8-16/h1-13,29-30H,14-15H2
InChIKeyCCSRGAMBROUBKP-UHFFFAOYSA-N
XLogP6.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174504635
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 90903736
N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
CID 25224643
2-(aminomethyl)-N-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]aniline
CID 174518717
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 25225379
[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol
CID 24857339
N-(1H-indol-5-ylmethyl)-3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]aniline
CID 66914317
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 66913937
3-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]propanoic acid
CID 66914153
N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
CID 174518702

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol (CID 174518736) is [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol is OCc1ccc(CNc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1.
What is the InChIKey of [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol?
The InChIKey is CCSRGAMBROUBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c25-24(26,27)22-6-2-5-21-20(11-12-28-23(21)22)18-3-1-4-19(13-18)29-14-16-7-9-17(15-30)10-8-16/h1-13,29-30H,14-15H2.
What are the key properties of [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol?
[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol has a molecular weight of 408.42 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol is sourced from PubChem (CID 174518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).