8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine

C17H14F3N3O — CID 152915400

IUPAC8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCCc1cccc2c(N)nc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C17H14F3N3O/c1-2-10-6-5-8-12-14(10)22-16(23-15(12)21)11-7-3-4-9-13(11)24-17(18,19)20/h3-9H,2H2,1H3,(H2,21,22,23)
InChIKeyUIALLLYXLMYHFZ-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.34
Rot. Bonds3

About 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine

8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 152915400) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID152915400
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCCc1cccc2c(N)nc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C17H14F3N3O/c1-2-10-6-5-8-12-14(10)22-16(23-15(12)21)11-7-3-4-9-13(11)24-17(18,19)20/h3-9H,2H2,1H3,(H2,21,22,23)
InChIKeyUIALLLYXLMYHFZ-UHFFFAOYSA-N
XLogP4.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-2-N-[8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine
CID 142126246
5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62204241
2-(2-methoxyphenyl)-8-methylquinazolin-4-amine
CID 64983688
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202462
[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
CID 62250732
4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 61000690
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-cyclopropyl-8-ethylquinazolin-4-amine
CID 106583926
2-(2,6-diethylphenyl)quinazolin-4-amine
CID 170413291
ethane;propane;6-(trifluoromethoxy)pyridin-2-amine
CID 178040742
[3-ethyl-2-(trifluoromethoxy)phenyl]methanol
CID 118269102

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 152915400) is 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine is CCc1cccc2c(N)nc(-c3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is UIALLLYXLMYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-2-10-6-5-8-12-14(10)22-16(23-15(12)21)11-7-3-4-9-13(11)24-17(18,19)20/h3-9H,2H2,1H3,(H2,21,22,23).
What are the key properties of 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 333.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 152915400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).