N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C20H14F3N3S — CID 3232692

IUPACN-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)17-6-2-1-5-15(17)13-7-8-18-16(10-13)19(26-12-25-18)24-11-14-4-3-9-27-14/h1-10,12H,11H2,(H,24,25,26)
InChIKeyVIDIOONBJFBFEW-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.99
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3232692) has the molecular formula C20H14F3N3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3232692
Molecular FormulaC20H14F3N3S
Molecular Weight385.41 g/mol
Exact Mass385.09
IUPAC NameN-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)17-6-2-1-5-15(17)13-7-8-18-16(10-13)19(26-12-25-18)24-11-14-4-3-9-27-14/h1-10,12H,11H2,(H,24,25,26)
InChIKeyVIDIOONBJFBFEW-UHFFFAOYSA-N
XLogP5.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3232692) is N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is VIDIOONBJFBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3S/c21-20(22,23)17-6-2-1-5-15(17)13-7-8-18-16(10-13)19(26-12-25-18)24-11-14-4-3-9-27-14/h1-10,12H,11H2,(H,24,25,26).
What are the key properties of N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 385.41 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3232692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).