6-phenoxyquinazolin-2-amine

C14H11N3O — CID 151514344

IUPAC6-phenoxyquinazolin-2-amine
SMILESNc1ncc2cc(Oc3ccccc3)ccc2n1
InChIInChI=1S/C14H11N3O/c15-14-16-9-10-8-12(6-7-13(10)17-14)18-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
InChIKeyPTDIDBISOIHDJZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.00
Rot. Bonds2

About 6-phenoxyquinazolin-2-amine

6-phenoxyquinazolin-2-amine (PubChem CID 151514344) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-phenoxyquinazolin-2-amine.

Molecular Properties

Compound Name6-phenoxyquinazolin-2-amine
PubChem CID151514344
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name6-phenoxyquinazolin-2-amine
SMILESNc1ncc2cc(Oc3ccccc3)ccc2n1
InChIInChI=1S/C14H11N3O/c15-14-16-9-10-8-12(6-7-13(10)17-14)18-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
InChIKeyPTDIDBISOIHDJZ-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxyquinazolin-2-amine?
The IUPAC name of 6-phenoxyquinazolin-2-amine (CID 151514344) is 6-phenoxyquinazolin-2-amine.
What is the SMILES notation for 6-phenoxyquinazolin-2-amine?
The canonical SMILES for 6-phenoxyquinazolin-2-amine is Nc1ncc2cc(Oc3ccccc3)ccc2n1.
What is the InChIKey of 6-phenoxyquinazolin-2-amine?
The InChIKey is PTDIDBISOIHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-14-16-9-10-8-12(6-7-13(10)17-14)18-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17).
What are the key properties of 6-phenoxyquinazolin-2-amine?
6-phenoxyquinazolin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxyquinazolin-2-amine is sourced from PubChem (CID 151514344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).