3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

C13H10N3O2- — CID 3447673

IUPAC3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccnc2)N1[O-]
InChIInChI=1S/C13H10N3O2/c17-13-10-5-1-2-6-11(10)15-12(16(13)18)9-4-3-7-14-8-9/h1-8,12,15H/q-1
InChIKeyCEQHDVXSNMELHG-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.15
Rot. Bonds1

About 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 3447673) has the molecular formula C13H10N3O2- and a molecular weight of 240.24 g/mol. Its IUPAC name is 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID3447673
Molecular FormulaC13H10N3O2-
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccnc2)N1[O-]
InChIInChI=1S/C13H10N3O2/c17-13-10-5-1-2-6-11(10)15-12(16(13)18)9-4-3-7-14-8-9/h1-8,12,15H/q-1
InChIKeyCEQHDVXSNMELHG-UHFFFAOYSA-N
XLogP2.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (CID 3447673) is 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccnc2)N1[O-].
What is the InChIKey of 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is CEQHDVXSNMELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3O2/c17-13-10-5-1-2-6-11(10)15-12(16(13)18)9-4-3-7-14-8-9/h1-8,12,15H/q-1.
What are the key properties of 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 240.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3447673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).