2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol

C16H19F2N3O — CID 133496325

IUPAC2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nc(C(F)F)nc2ccccc12
InChIInChI=1S/C16H19F2N3O/c17-14(18)16-20-13-6-2-1-5-11(13)15(21-16)19-12-7-3-4-10(12)8-9-22/h1-2,5-6,10,12,14,22H,3-4,7-9H2,(H,19,20,21)
InChIKeyWFSPTMCZXYLXGG-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol

2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol (PubChem CID 133496325) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol
PubChem CID133496325
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nc(C(F)F)nc2ccccc12
InChIInChI=1S/C16H19F2N3O/c17-14(18)16-20-13-6-2-1-5-11(13)15(21-16)19-12-7-3-4-10(12)8-9-22/h1-2,5-6,10,12,14,22H,3-4,7-9H2,(H,19,20,21)
InChIKeyWFSPTMCZXYLXGG-UHFFFAOYSA-N
XLogP3.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol (CID 133496325) is 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1nc(C(F)F)nc2ccccc12.
What is the InChIKey of 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol?
The InChIKey is WFSPTMCZXYLXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-14(18)16-20-13-6-2-1-5-11(13)15(21-16)19-12-7-3-4-10(12)8-9-22/h1-2,5-6,10,12,14,22H,3-4,7-9H2,(H,19,20,21).
What are the key properties of 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol?
2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol has a molecular weight of 307.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).