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

C13H11N3O2 — CID 4670743

IUPAC3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccn2)N1O
InChIInChI=1S/C13H11N3O2/c17-13-9-5-1-2-6-10(9)15-12(16(13)18)11-7-3-4-8-14-11/h1-8,12,15,18H
InChIKeyPPDQQHXBKCJWAQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.04
Rot. Bonds1

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

3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 4670743) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID4670743
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccn2)N1O
InChIInChI=1S/C13H11N3O2/c17-13-9-5-1-2-6-10(9)15-12(16(13)18)11-7-3-4-8-14-11/h1-8,12,15,18H
InChIKeyPPDQQHXBKCJWAQ-UHFFFAOYSA-N
XLogP2.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
(2S)-3-[(2R)-butan-2-yl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008392
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 19577722
(2R)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842662
(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842660
iron(2+);bis((2R)-2-pyridin-2-yl-3-[(E)-pyridin-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one);ditetrafluoroborate
CID 139177349
3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one
CID 3447639
(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673215
3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 71625651

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (CID 4670743) is 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccn2)N1O.
What is the InChIKey of 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is PPDQQHXBKCJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13-9-5-1-2-6-10(9)15-12(16(13)18)11-7-3-4-8-14-11/h1-8,12,15,18H.
What are the key properties of 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 241.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4670743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).