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

Verubulin
CID 11414799
CP-31398
CID 9950868
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
1-(4-Methoxy-6-methylquinazolin-2-yl)guanidine
CID 600062
5-(4-Fluorophenoxy)quinazoline-2,4-diamine
CID 2824486
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
2-(4-Ethoxy-8-methylquinazolin-2-yl)guanidine
CID 2869867
2,4-Diamino-5-(4-methylphenoxy)quinazoline
CID 4106338
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941
6-(2-Methoxyphenyl)-4-quinazolinamine
CID 90054621

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).