2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol

C18H17F3N4O2 — CID 19392287

IUPAC2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)15-6-5-12(11-23-15)16-24-14-4-2-1-3-13(14)17(25-16)22-7-9-27-10-8-26/h1-6,11,26H,7-10H2,(H,22,24,25)
InChIKeyOJAHRJRTUWMTCS-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.13
Rot. Bonds7

About 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol

2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol (PubChem CID 19392287) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol
PubChem CID19392287
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)15-6-5-12(11-23-15)16-24-14-4-2-1-3-13(14)17(25-16)22-7-9-27-10-8-26/h1-6,11,26H,7-10H2,(H,22,24,25)
InChIKeyOJAHRJRTUWMTCS-UHFFFAOYSA-N
XLogP3.13
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol (CID 19392287) is 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol is OCCOCCNc1nc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12.
What is the InChIKey of 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol?
The InChIKey is OJAHRJRTUWMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)15-6-5-12(11-23-15)16-24-14-4-2-1-3-13(14)17(25-16)22-7-9-27-10-8-26/h1-6,11,26H,7-10H2,(H,22,24,25).
What are the key properties of 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol?
2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol has a molecular weight of 378.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 19392287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).