2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine

C19H19F3N4O — CID 68723523

IUPAC2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)o1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)16-9-8-13(27-16)12-23-17-14-6-2-3-7-15(14)24-18(25-17)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-12H2,(H,23,24,25)
InChIKeyKMMVGKCVRHQTBA-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.84
Rot. Bonds4

About 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine

2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine (PubChem CID 68723523) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
PubChem CID68723523
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)o1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)16-9-8-13(27-16)12-23-17-14-6-2-3-7-15(14)24-18(25-17)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-12H2,(H,23,24,25)
InChIKeyKMMVGKCVRHQTBA-UHFFFAOYSA-N
XLogP4.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine (CID 68723523) is 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine is FC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)o1.
What is the InChIKey of 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is KMMVGKCVRHQTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)16-9-8-13(27-16)12-23-17-14-6-2-3-7-15(14)24-18(25-17)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-12H2,(H,23,24,25).
What are the key properties of 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 376.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 68723523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).