6-(4-aminophenoxy)-3-methylquinazolin-4-one

C15H13N3O2 — CID 25112229

IUPAC6-(4-aminophenoxy)-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(Oc3ccc(N)cc3)cc2c1=O
InChIInChI=1S/C15H13N3O2/c1-18-9-17-14-7-6-12(8-13(14)15(18)19)20-11-4-2-10(16)3-5-11/h2-9H,16H2,1H3
InChIKeyKAWCZJRZTYFOCO-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.31
Rot. Bonds2

About 6-(4-aminophenoxy)-3-methylquinazolin-4-one

6-(4-aminophenoxy)-3-methylquinazolin-4-one (PubChem CID 25112229) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(4-aminophenoxy)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-(4-aminophenoxy)-3-methylquinazolin-4-one
PubChem CID25112229
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-(4-aminophenoxy)-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(Oc3ccc(N)cc3)cc2c1=O
InChIInChI=1S/C15H13N3O2/c1-18-9-17-14-7-6-12(8-13(14)15(18)19)20-11-4-2-10(16)3-5-11/h2-9H,16H2,1H3
InChIKeyKAWCZJRZTYFOCO-UHFFFAOYSA-N
XLogP2.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenoxy)-3-methylquinazolin-4-one?
The IUPAC name of 6-(4-aminophenoxy)-3-methylquinazolin-4-one (CID 25112229) is 6-(4-aminophenoxy)-3-methylquinazolin-4-one.
What is the SMILES notation for 6-(4-aminophenoxy)-3-methylquinazolin-4-one?
The canonical SMILES for 6-(4-aminophenoxy)-3-methylquinazolin-4-one is Cn1cnc2ccc(Oc3ccc(N)cc3)cc2c1=O.
What is the InChIKey of 6-(4-aminophenoxy)-3-methylquinazolin-4-one?
The InChIKey is KAWCZJRZTYFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-9-17-14-7-6-12(8-13(14)15(18)19)20-11-4-2-10(16)3-5-11/h2-9H,16H2,1H3.
What are the key properties of 6-(4-aminophenoxy)-3-methylquinazolin-4-one?
6-(4-aminophenoxy)-3-methylquinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenoxy)-3-methylquinazolin-4-one is sourced from PubChem (CID 25112229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).