N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine

C16H13F3N4O — CID 162513891

IUPACN-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(OCCNc2ncnc3ccccc23)n1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)13-6-3-7-14(23-13)24-9-8-20-15-11-4-1-2-5-12(11)21-10-22-15/h1-7,10H,8-9H2,(H,20,21,22)
InChIKeyNLJGMRSXWPPKOE-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.53
Rot. Bonds5

About N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine

N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine (PubChem CID 162513891) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine
PubChem CID162513891
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(OCCNc2ncnc3ccccc23)n1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)13-6-3-7-14(23-13)24-9-8-20-15-11-4-1-2-5-12(11)21-10-22-15/h1-7,10H,8-9H2,(H,20,21,22)
InChIKeyNLJGMRSXWPPKOE-UHFFFAOYSA-N
XLogP3.53
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine (CID 162513891) is N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine is FC(F)(F)c1cccc(OCCNc2ncnc3ccccc23)n1.
What is the InChIKey of N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine?
The InChIKey is NLJGMRSXWPPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)13-6-3-7-14(23-13)24-9-8-20-15-11-4-1-2-5-12(11)21-10-22-15/h1-7,10H,8-9H2,(H,20,21,22).
What are the key properties of N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine?
N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine has a molecular weight of 334.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]quinazolin-4-amine is sourced from PubChem (CID 162513891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).