2-amino-5,8-dihydroxy-3H-quinazolin-4-one

C8H7N3O3 — CID 137175521

IUPAC2-amino-5,8-dihydroxy-3H-quinazolin-4-one
SMILESNc1nc2c(O)ccc(O)c2c(=O)[nH]1
InChIInChI=1S/C8H7N3O3/c9-8-10-6-4(13)2-1-3(12)5(6)7(14)11-8/h1-2,12-13H,(H3,9,10,11,14)
InChIKeyYIWGKSUWPVDPDQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.08
Rot. Bonds

About 2-amino-5,8-dihydroxy-3H-quinazolin-4-one

2-amino-5,8-dihydroxy-3H-quinazolin-4-one (PubChem CID 137175521) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-amino-5,8-dihydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-5,8-dihydroxy-3H-quinazolin-4-one
PubChem CID137175521
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-amino-5,8-dihydroxy-3H-quinazolin-4-one
SMILESNc1nc2c(O)ccc(O)c2c(=O)[nH]1
InChIInChI=1S/C8H7N3O3/c9-8-10-6-4(13)2-1-3(12)5(6)7(14)11-8/h1-2,12-13H,(H3,9,10,11,14)
InChIKeyYIWGKSUWPVDPDQ-UHFFFAOYSA-N
XLogP-0.08
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one
CID 174974160
2-amino-8-(2,5-dihydroxyphenyl)-1,7-dihydropurin-6-one
CID 136903813
4-amino-5-hydroxy-1H-quinazolin-2-one
CID 135903172
2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135741629
2-amino-8-deuterio-1,9-dihydropurin-6-one
CID 136912024
2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275792
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 143864919
2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 162687807
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
CID 135604539

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,8-dihydroxy-3H-quinazolin-4-one?
The IUPAC name of 2-amino-5,8-dihydroxy-3H-quinazolin-4-one (CID 137175521) is 2-amino-5,8-dihydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-5,8-dihydroxy-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-5,8-dihydroxy-3H-quinazolin-4-one is Nc1nc2c(O)ccc(O)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5,8-dihydroxy-3H-quinazolin-4-one?
The InChIKey is YIWGKSUWPVDPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-8-10-6-4(13)2-1-3(12)5(6)7(14)11-8/h1-2,12-13H,(H3,9,10,11,14).
What are the key properties of 2-amino-5,8-dihydroxy-3H-quinazolin-4-one?
2-amino-5,8-dihydroxy-3H-quinazolin-4-one has a molecular weight of 193.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,8-dihydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 137175521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).