4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol

C15H13N3O4 — CID 137132890

IUPAC4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Oc3cccc(NO)c3)ncnc2cc1O
InChIInChI=1S/C15H13N3O4/c1-21-14-6-11-12(7-13(14)19)16-8-17-15(11)22-10-4-2-3-9(5-10)18-20/h2-8,18-20H,1H3
InChIKeyAWHZGFGZQQILFL-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.94
Rot. Bonds4

About 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol

4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol (PubChem CID 137132890) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol.

Molecular Properties

Compound Name4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol
PubChem CID137132890
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Oc3cccc(NO)c3)ncnc2cc1O
InChIInChI=1S/C15H13N3O4/c1-21-14-6-11-12(7-13(14)19)16-8-17-15(11)22-10-4-2-3-9(5-10)18-20/h2-8,18-20H,1H3
InChIKeyAWHZGFGZQQILFL-UHFFFAOYSA-N
XLogP2.94
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(7-hydroxy-6-methoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 172990449
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 172817866
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
CID 76847933
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea;dihydrochloride
CID 140870669
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
2-(3-tert-butyl-2H-pyrrol-5-yl)-1-[3-(6-methoxy-7-methylquinazolin-4-yl)oxyphenyl]guanidine
CID 126727555

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol?
The IUPAC name of 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol (CID 137132890) is 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol.
What is the SMILES notation for 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol?
The canonical SMILES for 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol is COc1cc2c(Oc3cccc(NO)c3)ncnc2cc1O.
What is the InChIKey of 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol?
The InChIKey is AWHZGFGZQQILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-14-6-11-12(7-13(14)19)16-8-17-15(11)22-10-4-2-3-9(5-10)18-20/h2-8,18-20H,1H3.
What are the key properties of 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol?
4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol has a molecular weight of 299.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol is sourced from PubChem (CID 137132890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).