6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one

C15H13N3O3 — CID 136809534

IUPAC6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
SMILESNc1ccc2nc(Oc3ccccc3CO)[nH]c(=O)c2c1
InChIInChI=1S/C15H13N3O3/c16-10-5-6-12-11(7-10)14(20)18-15(17-12)21-13-4-2-1-3-9(13)8-19/h1-7,19H,8,16H2,(H,17,18,20)
InChIKeyVDFSUHUFQRBWRS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.79
Rot. Bonds3

About 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one

6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one (PubChem CID 136809534) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
PubChem CID136809534
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
SMILESNc1ccc2nc(Oc3ccccc3CO)[nH]c(=O)c2c1
InChIInChI=1S/C15H13N3O3/c16-10-5-6-12-11(7-10)14(20)18-15(17-12)21-13-4-2-1-3-9(13)8-19/h1-7,19H,8,16H2,(H,17,18,20)
InChIKeyVDFSUHUFQRBWRS-UHFFFAOYSA-N
XLogP1.79
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
CID 136809447
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
CID 136809559
6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809561
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
CID 136809563
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
CID 136808564
5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
CID 63652229
[2-[(4-amino-2-pyridinyl)oxy]phenyl]methanol
CID 63653249

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one (CID 136809534) is 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one is Nc1ccc2nc(Oc3ccccc3CO)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one?
The InChIKey is VDFSUHUFQRBWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-10-5-6-12-11(7-10)14(20)18-15(17-12)21-13-4-2-1-3-9(13)8-19/h1-7,19H,8,16H2,(H,17,18,20).
What are the key properties of 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one?
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one has a molecular weight of 283.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 136809534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).