2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one

C15H11F2N3O2 — CID 136782491

IUPAC2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3ccnc(OC(F)F)c3)[nH]c(=O)c2c1
InChIInChI=1S/C15H11F2N3O2/c1-8-2-3-11-10(6-8)14(21)20-13(19-11)9-4-5-18-12(7-9)22-15(16)17/h2-7,15H,1H3,(H,19,20,21)
InChIKeyWACOIWFZDDPTKD-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one

2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one (PubChem CID 136782491) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one
PubChem CID136782491
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3ccnc(OC(F)F)c3)[nH]c(=O)c2c1
InChIInChI=1S/C15H11F2N3O2/c1-8-2-3-11-10(6-8)14(21)20-13(19-11)9-4-5-18-12(7-9)22-15(16)17/h2-7,15H,1H3,(H,19,20,21)
InChIKeyWACOIWFZDDPTKD-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one (CID 136782491) is 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(-c3ccnc(OC(F)F)c3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one?
The InChIKey is WACOIWFZDDPTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-8-2-3-11-10(6-8)14(21)20-13(19-11)9-4-5-18-12(7-9)22-15(16)17/h2-7,15H,1H3,(H,19,20,21).
What are the key properties of 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one?
2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one has a molecular weight of 303.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136782491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).