[2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol

C20H14BrF3N2O — CID 18729557

IUPAC[2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol
SMILESCn1cc(-c2cc(CO)c3cc(C(F)(F)F)ccc3n2)c2cc(Br)ccc21
InChIInChI=1S/C20H14BrF3N2O/c1-26-9-16(15-8-13(21)3-5-19(15)26)18-6-11(10-27)14-7-12(20(22,23)24)2-4-17(14)25-18/h2-9,27H,10H2,1H3
InChIKeyKHTCKCAXSRTDPP-UHFFFAOYSA-N
MW435.24 g/mol
LogP5.67
Rot. Bonds2

About [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol

[2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol (PubChem CID 18729557) has the molecular formula C20H14BrF3N2O and a molecular weight of 435.24 g/mol. Its IUPAC name is [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol
PubChem CID18729557
Molecular FormulaC20H14BrF3N2O
Molecular Weight435.24 g/mol
Exact Mass434.02
IUPAC Name[2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol
SMILESCn1cc(-c2cc(CO)c3cc(C(F)(F)F)ccc3n2)c2cc(Br)ccc21
InChIInChI=1S/C20H14BrF3N2O/c1-26-9-16(15-8-13(21)3-5-19(15)26)18-6-11(10-27)14-7-12(20(22,23)24)2-4-17(14)25-18/h2-9,27H,10H2,1H3
InChIKeyKHTCKCAXSRTDPP-UHFFFAOYSA-N
XLogP5.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.24
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromobenzyl)-1H-indol-3-yl]methanol
CID 15881523
[1-[(3-Bromophenyl)methyl]indol-3-yl]methanol
CID 15881522
[1-[(3,4-Dibromophenyl)methyl]indol-3-yl]methanol
CID 52951094
[4-[1-(1-Methylindol-5-yl)ethenyl]quinolin-2-yl]methanol
CID 155554830
(6-Bromoquinolin-8-yl)methanol
CID 66957074
(7-Ethyl-2-phenylpyrrolo[2,3-h]quinolin-4-yl)methanol
CID 72703681
(5,10,11-Trimethylpyrido[3,4-b]carbazol-7-yl)methanol
CID 155805418
1-(6-Bromo-3-quinolyl)-4-(dimethylamino)-1,2-diphenyl-butan-2-ol
CID 49767232
[4-[[2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methoxymethyl]phenyl]methanamine
CID 9871988
[2-(5-bromo-1H-indol-3-yl)-7-fluoroquinolin-4-yl]methanol
CID 11726672
[2-(5-bromo-1H-indol-3-yl)-6-fluoroquinolin-4-yl]methanol
CID 18729515
[2-(5-bromo-1H-indol-3-yl)-8-fluoroquinolin-4-yl]methanol
CID 18729534

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol?
The IUPAC name of [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol (CID 18729557) is [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol is Cn1cc(-c2cc(CO)c3cc(C(F)(F)F)ccc3n2)c2cc(Br)ccc21.
What is the InChIKey of [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol?
The InChIKey is KHTCKCAXSRTDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N2O/c1-26-9-16(15-8-13(21)3-5-19(15)26)18-6-11(10-27)14-7-12(20(22,23)24)2-4-17(14)25-18/h2-9,27H,10H2,1H3.
What are the key properties of [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol?
[2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol has a molecular weight of 435.24 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]methanol is sourced from PubChem (CID 18729557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).