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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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68781325
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine
CID 68726180
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
CID 660740
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247
N-(4-nitrophenyl)-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine
CID 2956962
2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 173104704
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
CID 71690751
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210

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).