6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

C18H13F2N5O — CID 11610032

IUPAC6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ccc(F)cc4F)cc23)n1
InChIInChI=1S/C18H13F2N5O/c1-25-7-6-17(24-25)23-18-13-9-12(3-4-15(13)21-10-22-18)26-16-5-2-11(19)8-14(16)20/h2-10H,1H3,(H,21,22,23,24)
InChIKeyREXDHEBHLNGIGV-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.18
Rot. Bonds4

About 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 11610032) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID11610032
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ccc(F)cc4F)cc23)n1
InChIInChI=1S/C18H13F2N5O/c1-25-7-6-17(24-25)23-18-13-9-12(3-4-15(13)21-10-22-18)26-16-5-2-11(19)8-14(16)20/h2-10H,1H3,(H,21,22,23,24)
InChIKeyREXDHEBHLNGIGV-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 11610032) is 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4ccc(F)cc4F)cc23)n1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is REXDHEBHLNGIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-25-7-6-17(24-25)23-18-13-9-12(3-4-15(13)21-10-22-18)26-16-5-2-11(19)8-14(16)20/h2-10H,1H3,(H,21,22,23,24).
What are the key properties of 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 353.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 11610032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).