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

C19H17F5N4O — CID 68781325

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
SMILESFC1(F)CCN(c2nc(NCc3ccc(C(F)(F)F)o3)c3ccccc3n2)CC1
InChIInChI=1S/C19H17F5N4O/c20-18(21)7-9-28(10-8-18)17-26-14-4-2-1-3-13(14)16(27-17)25-11-12-5-6-15(29-12)19(22,23)24/h1-6H,7-11H2,(H,25,26,27)
InChIKeyWPSUJYFRALDUQJ-UHFFFAOYSA-N
MW412.36 g/mol
LogP5.09
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine (PubChem CID 68781325) has the molecular formula C19H17F5N4O and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
PubChem CID68781325
Molecular FormulaC19H17F5N4O
Molecular Weight412.36 g/mol
Exact Mass412.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
SMILESFC1(F)CCN(c2nc(NCc3ccc(C(F)(F)F)o3)c3ccccc3n2)CC1
InChIInChI=1S/C19H17F5N4O/c20-18(21)7-9-28(10-8-18)17-26-14-4-2-1-3-13(14)16(27-17)25-11-12-5-6-15(29-12)19(22,23)24/h1-6H,7-11H2,(H,25,26,27)
InChIKeyWPSUJYFRALDUQJ-UHFFFAOYSA-N
XLogP5.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68723523
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
CID 660740
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-(4,4-difluoropiperidin-1-yl)-7-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine;7-fluoro-2-N,4-N-bis[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 159758847
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240139
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
CID 71690751
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine (CID 68781325) is 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine is FC1(F)CCN(c2nc(NCc3ccc(C(F)(F)F)o3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is WPSUJYFRALDUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O/c20-18(21)7-9-28(10-8-18)17-26-14-4-2-1-3-13(14)16(27-17)25-11-12-5-6-15(29-12)19(22,23)24/h1-6H,7-11H2,(H,25,26,27).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine?
2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 412.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 68781325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).