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

C23H18F3N3O — CID 56692563

IUPAC2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol
SMILESOCC(Nc1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)17-10-6-9-16(13-17)21-27-19-12-5-4-11-18(19)22(29-21)28-20(14-30)15-7-2-1-3-8-15/h1-13,20,30H,14H2,(H,27,28,29)
InChIKeyMIVHKLMCNZAZEV-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.46
Rot. Bonds5

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

2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol (PubChem CID 56692563) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol
PubChem CID56692563
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol
SMILESOCC(Nc1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)17-10-6-9-16(13-17)21-27-19-12-5-4-11-18(19)22(29-21)28-20(14-30)15-7-2-1-3-8-15/h1-13,20,30H,14H2,(H,27,28,29)
InChIKeyMIVHKLMCNZAZEV-UHFFFAOYSA-N
XLogP5.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol (CID 56692563) is 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol is OCC(Nc1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol?
The InChIKey is MIVHKLMCNZAZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c24-23(25,26)17-10-6-9-16(13-17)21-27-19-12-5-4-11-18(19)22(29-21)28-20(14-30)15-7-2-1-3-8-15/h1-13,20,30H,14H2,(H,27,28,29).
What are the key properties of 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol?
2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol has a molecular weight of 409.41 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 56692563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).