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

C15H11F2N3O2 — CID 154850422

IUPAC2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3cccc(OC(F)F)n3)[nH]c(=O)c2c1
InChIInChI=1S/C15H11F2N3O2/c1-8-5-6-10-9(7-8)14(21)20-13(19-10)11-3-2-4-12(18-11)22-15(16)17/h2-7,15H,1H3,(H,19,20,21)
InChIKeyNBVNQDIODCMAIQ-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.89
Rot. Bonds3

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

2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one (PubChem CID 154850422) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one
PubChem CID154850422
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3cccc(OC(F)F)n3)[nH]c(=O)c2c1
InChIInChI=1S/C15H11F2N3O2/c1-8-5-6-10-9(7-8)14(21)20-13(19-10)11-3-2-4-12(18-11)22-15(16)17/h2-7,15H,1H3,(H,19,20,21)
InChIKeyNBVNQDIODCMAIQ-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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Related Compounds

2-[6-(2,2-difluoroethoxy)-2-pyridinyl]-6-methoxy-3H-quinazolin-4-one
CID 167908841
2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one
CID 136560986
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
CID 142133755
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
CID 135958434
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
CID 136535466

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one (CID 154850422) is 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(-c3cccc(OC(F)F)n3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one?
The InChIKey is NBVNQDIODCMAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-8-5-6-10-9(7-8)14(21)20-13(19-10)11-3-2-4-12(18-11)22-15(16)17/h2-7,15H,1H3,(H,19,20,21).
What are the key properties of 2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one?
2-[6-(difluoromethoxy)-2-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-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 154850422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).