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

C18H13F2N5O — CID 23160266

IUPAC6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1
InChIInChI=1S/C18H13F2N5O/c1-25-8-7-16(24-25)23-18-12-9-11(5-6-15(12)21-10-22-18)26-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,22,23,24)
InChIKeyIASPBPPPOAHMMS-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.18
Rot. Bonds4

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

6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 23160266) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID23160266
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1
InChIInChI=1S/C18H13F2N5O/c1-25-8-7-16(24-25)23-18-12-9-11(5-6-15(12)21-10-22-18)26-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,22,23,24)
InChIKeyIASPBPPPOAHMMS-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-(2,6-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

Related Compounds

Acrizanib
CID 59394698
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329493
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
1-(3-Tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294498
LY-456236
CID 9926998
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 23160266) is 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1.
What is the InChIKey of 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is IASPBPPPOAHMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-25-8-7-16(24-25)23-18-12-9-11(5-6-15(12)21-10-22-18)26-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,22,23,24).
What are the key properties of 6-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-(2,6-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-(2,6-difluorophenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 23160266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).