2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol

C17H15F3N4O — CID 50944549

IUPAC2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(Nc2cccc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)11-4-3-5-12(10-11)22-16-23-14-7-2-1-6-13(14)15(24-16)21-8-9-25/h1-7,10,25H,8-9H2,(H2,21,22,23,24)
InChIKeyZLGBDRVTAVTGQB-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.80
Rot. Bonds5

About 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol

2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol (PubChem CID 50944549) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
PubChem CID50944549
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(Nc2cccc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)11-4-3-5-12(10-11)22-16-23-14-7-2-1-6-13(14)15(24-16)21-8-9-25/h1-7,10,25H,8-9H2,(H2,21,22,23,24)
InChIKeyZLGBDRVTAVTGQB-UHFFFAOYSA-N
XLogP3.80
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol
CID 167820063
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
CID 2790704
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
2-[3-(trifluoromethyl)anilino]quinoline-4-carboxylate
CID 3503074
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol (CID 50944549) is 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol is OCCNc1nc(Nc2cccc(C(F)(F)F)c2)nc2ccccc12.
What is the InChIKey of 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol?
The InChIKey is ZLGBDRVTAVTGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)11-4-3-5-12(10-11)22-16-23-14-7-2-1-6-13(14)15(24-16)21-8-9-25/h1-7,10,25H,8-9H2,(H2,21,22,23,24).
What are the key properties of 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol?
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol has a molecular weight of 348.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 50944549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).