4-(2,3-difluorophenoxy)quinazolin-7-amine

C14H9F2N3O — CID 65336135

IUPAC4-(2,3-difluorophenoxy)quinazolin-7-amine
SMILESNc1ccc2c(Oc3cccc(F)c3F)ncnc2c1
InChIInChI=1S/C14H9F2N3O/c15-10-2-1-3-12(13(10)16)20-14-9-5-4-8(17)6-11(9)18-7-19-14/h1-7H,17H2
InChIKeyPQPRZKINYNUQAJ-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.28
Rot. Bonds2

About 4-(2,3-difluorophenoxy)quinazolin-7-amine

4-(2,3-difluorophenoxy)quinazolin-7-amine (PubChem CID 65336135) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)quinazolin-7-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)quinazolin-7-amine
PubChem CID65336135
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name4-(2,3-difluorophenoxy)quinazolin-7-amine
SMILESNc1ccc2c(Oc3cccc(F)c3F)ncnc2c1
InChIInChI=1S/C14H9F2N3O/c15-10-2-1-3-12(13(10)16)20-14-9-5-4-8(17)6-11(9)18-7-19-14/h1-7H,17H2
InChIKeyPQPRZKINYNUQAJ-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluorophenoxy)quinazolin-7-amine
CID 65336089
4-[3-(dimethylamino)propoxy]quinazolin-7-amine
CID 65336571
4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
CID 64587942
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
4-(1-phenylethoxy)quinazolin-7-amine
CID 65336469
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
CID 65336522
4-methylquinazolin-7-amine
CID 90920738
7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline
CID 86972132
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633769
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
6-(2,3-difluorophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880333

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)quinazolin-7-amine?
The IUPAC name of 4-(2,3-difluorophenoxy)quinazolin-7-amine (CID 65336135) is 4-(2,3-difluorophenoxy)quinazolin-7-amine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)quinazolin-7-amine?
The canonical SMILES for 4-(2,3-difluorophenoxy)quinazolin-7-amine is Nc1ccc2c(Oc3cccc(F)c3F)ncnc2c1.
What is the InChIKey of 4-(2,3-difluorophenoxy)quinazolin-7-amine?
The InChIKey is PQPRZKINYNUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-10-2-1-3-12(13(10)16)20-14-9-5-4-8(17)6-11(9)18-7-19-14/h1-7H,17H2.
What are the key properties of 4-(2,3-difluorophenoxy)quinazolin-7-amine?
4-(2,3-difluorophenoxy)quinazolin-7-amine has a molecular weight of 273.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)quinazolin-7-amine is sourced from PubChem (CID 65336135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).