2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine

C18H22F2N4O — CID 133381147

IUPAC2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
SMILESFC(F)c1nc(NC2CCN(C3CCOC3)CC2)c2ccccc2n1
InChIInChI=1S/C18H22F2N4O/c19-16(20)18-22-15-4-2-1-3-14(15)17(23-18)21-12-5-8-24(9-6-12)13-7-10-25-11-13/h1-4,12-13,16H,5-11H2,(H,21,22,23)
InChIKeyORZJJDPBFLVAIJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.23
Rot. Bonds4

About 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine

2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine (PubChem CID 133381147) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
PubChem CID133381147
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
SMILESFC(F)c1nc(NC2CCN(C3CCOC3)CC2)c2ccccc2n1
InChIInChI=1S/C18H22F2N4O/c19-16(20)18-22-15-4-2-1-3-14(15)17(23-18)21-12-5-8-24(9-6-12)13-7-10-25-11-13/h1-4,12-13,16H,5-11H2,(H,21,22,23)
InChIKeyORZJJDPBFLVAIJ-UHFFFAOYSA-N
XLogP3.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
CID 133362263
N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 133473493
1-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366706
6-bromo-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381158
2-(difluoromethyl)-N-(1,1-dioxo-7-oxa-1λ6-thiaspiro[3.5]nonan-3-yl)quinazolin-4-amine
CID 167978535
2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine
CID 133439557
5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 154741850
2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 80853828
2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol
CID 133496325
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133381110
2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 95769191
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938882

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine (CID 133381147) is 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine is FC(F)c1nc(NC2CCN(C3CCOC3)CC2)c2ccccc2n1.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine?
The InChIKey is ORZJJDPBFLVAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-16(20)18-22-15-4-2-1-3-14(15)17(23-18)21-12-5-8-24(9-6-12)13-7-10-25-11-13/h1-4,12-13,16H,5-11H2,(H,21,22,23).
What are the key properties of 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine?
2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine has a molecular weight of 348.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine is sourced from PubChem (CID 133381147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).