3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine

C19H18F3N3 — CID 86297639

IUPAC3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
SMILESNC1=Nc2cc(C(F)(F)F)ccc2CN1C1CCc2ccccc2C1
InChIInChI=1S/C19H18F3N3/c20-19(21,22)15-7-5-14-11-25(18(23)24-17(14)10-15)16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16H,6,8-9,11H2,(H2,23,24)
InChIKeyVQUSRQBVMCEBQV-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.02
Rot. Bonds1

About 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine

3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine (PubChem CID 86297639) has the molecular formula C19H18F3N3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
PubChem CID86297639
Molecular FormulaC19H18F3N3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
SMILESNC1=Nc2cc(C(F)(F)F)ccc2CN1C1CCc2ccccc2C1
InChIInChI=1S/C19H18F3N3/c20-19(21,22)15-7-5-14-11-25(18(23)24-17(14)10-15)16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16H,6,8-9,11H2,(H2,23,24)
InChIKeyVQUSRQBVMCEBQV-UHFFFAOYSA-N
XLogP4.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine (CID 86297639) is 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine is NC1=Nc2cc(C(F)(F)F)ccc2CN1C1CCc2ccccc2C1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
The InChIKey is VQUSRQBVMCEBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3/c20-19(21,22)15-7-5-14-11-25(18(23)24-17(14)10-15)16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16H,6,8-9,11H2,(H2,23,24).
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine has a molecular weight of 345.37 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine is sourced from PubChem (CID 86297639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).