2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol

C12H10BrF3N2O — CID 14209237

IUPAC2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol
SMILESOCCNc1c(Br)cnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H10BrF3N2O/c13-9-6-18-10-5-7(12(14,15)16)1-2-8(10)11(9)17-3-4-19/h1-2,5-6,19H,3-4H2,(H,17,18)
InChIKeyKHRWEDLPPNPSBI-UHFFFAOYSA-N
MW335.12 g/mol
LogP3.42
Rot. Bonds3

About 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol

2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol (PubChem CID 14209237) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol
PubChem CID14209237
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol
SMILESOCCNc1c(Br)cnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H10BrF3N2O/c13-9-6-18-10-5-7(12(14,15)16)1-2-8(10)11(9)17-3-4-19/h1-2,5-6,19H,3-4H2,(H,17,18)
InChIKeyKHRWEDLPPNPSBI-UHFFFAOYSA-N
XLogP3.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,6-dibromoquinolin-4-yl)amino]ethanol
CID 143875719
4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
4-chloro-7-(trifluoromethyl)quinolin-3-amine
CID 133061186
1-bromo-7-(trifluoromethyl)isoquinolin-4-ol
CID 141275218
ethyl 4-[3-(4-methylpiperidin-1-yl)propylamino]-7-(trifluoromethyl)quinoline-3-carboxylate
CID 122174413
3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol
CID 174242071
tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate
CID 142503862
ethyl 4-(2,5-dichloroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 23477181
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
3-[(7-bromo-3-nitroquinolin-4-yl)amino]propan-1-ol
CID 66619878
2-(bromomethyl)-6-(trifluoromethyl)quinoxaline
CID 71379300

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol (CID 14209237) is 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol is OCCNc1c(Br)cnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol?
The InChIKey is KHRWEDLPPNPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c13-9-6-18-10-5-7(12(14,15)16)1-2-8(10)11(9)17-3-4-19/h1-2,5-6,19H,3-4H2,(H,17,18).
What are the key properties of 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol?
2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol has a molecular weight of 335.12 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol is sourced from PubChem (CID 14209237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).