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

C13H12N3O2+ — CID 3447639

IUPAC3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc[nH+]c2)N1O
InChIInChI=1S/C13H11N3O2/c17-13-10-5-1-2-6-11(10)15-12(16(13)18)9-4-3-7-14-8-9/h1-8,12,15,18H/p+1
InChIKeyJWZMBHPSZLHIJD-UHFFFAOYSA-O
MW242.26 g/mol
LogP1.46
Rot. Bonds1

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

3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 3447639) has the molecular formula C13H12N3O2+ and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID3447639
Molecular FormulaC13H12N3O2+
Molecular Weight242.26 g/mol
Exact Mass242.09
IUPAC Name3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc[nH+]c2)N1O
InChIInChI=1S/C13H11N3O2/c17-13-10-5-1-2-6-11(10)15-12(16(13)18)9-4-3-7-14-8-9/h1-8,12,15,18H/p+1
InChIKeyJWZMBHPSZLHIJD-UHFFFAOYSA-O
XLogP1.46
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 19577722
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 4670743
(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842660
(2R)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842662
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
4-hydroxy-3,3a,10,10a-tetrahydrocyclopenta[b][1,4]benzodiazepin-5-one
CID 75084297
5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one
CID 11832285
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one (CID 3447639) is 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc[nH+]c2)N1O.
What is the InChIKey of 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is JWZMBHPSZLHIJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11N3O2/c17-13-10-5-1-2-6-11(10)15-12(16(13)18)9-4-3-7-14-8-9/h1-8,12,15,18H/p+1.
What are the key properties of 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 242.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3447639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).