2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one

C18H17F2N5O2 — CID 126938882

IUPAC2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2nc(C(F)F)nc3ccccc23)n1
InChIInChI=1S/C18H17F2N5O2/c1-10-6-7-15(26)25(24-10)14-9-27-8-13(14)22-17-11-4-2-3-5-12(11)21-18(23-17)16(19)20/h2-7,13-14,16H,8-9H2,1H3,(H,21,22,23)
InChIKeyNIUPJACNMYKUIL-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.48
Rot. Bonds4

About 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one

2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one (PubChem CID 126938882) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
PubChem CID126938882
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2nc(C(F)F)nc3ccccc23)n1
InChIInChI=1S/C18H17F2N5O2/c1-10-6-7-15(26)25(24-10)14-9-27-8-13(14)22-17-11-4-2-3-5-12(11)21-18(23-17)16(19)20/h2-7,13-14,16H,8-9H2,1H3,(H,21,22,23)
InChIKeyNIUPJACNMYKUIL-UHFFFAOYSA-N
XLogP2.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one (CID 126938882) is 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2COCC2Nc2nc(C(F)F)nc3ccccc23)n1.
What is the InChIKey of 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The InChIKey is NIUPJACNMYKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-10-6-7-15(26)25(24-10)14-9-27-8-13(14)22-17-11-4-2-3-5-12(11)21-18(23-17)16(19)20/h2-7,13-14,16H,8-9H2,1H3,(H,21,22,23).
What are the key properties of 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one?
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one has a molecular weight of 373.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126938882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).