6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

C20H19N5O3S — CID 23160260

IUPAC6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCc1ccc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(S(C)(=O)=O)c1
InChIInChI=1S/C20H19N5O3S/c1-13-4-7-17(18(10-13)29(3,26)27)28-14-5-6-16-15(11-14)20(22-12-21-16)23-19-8-9-25(2)24-19/h4-12H,1-3H3,(H,21,22,23,24)
InChIKeyUXSQYXDWUHUHEM-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.61
Rot. Bonds5

About 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 23160260) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID23160260
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCc1ccc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(S(C)(=O)=O)c1
InChIInChI=1S/C20H19N5O3S/c1-13-4-7-17(18(10-13)29(3,26)27)28-14-5-6-16-15(11-14)20(22-12-21-16)23-19-8-9-25(2)24-19/h4-12H,1-3H3,(H,21,22,23,24)
InChIKeyUXSQYXDWUHUHEM-UHFFFAOYSA-N
XLogP3.61
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-methyl-2-methylsulfonylphenoxy)-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

N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329493
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11589677
6-(2,4-difluorophenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11610032
6-(2-chloro-6-(methylsulfonyl)phenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11647637
N-(1-ethyl-1H-pyrazol-3-yl)-6-(2-fluoro-6-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 11690454
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(pyrazin-2-yl)quinazolin-4-amine
CID 11711284
N-(1-methyl-1H-pyrazol-3-yl)-6-(2-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 11718171
6-(2,6-Difluorophenoxy)-N-(1-methyl-pyrazol-3-yl)-quinazolin-4-yl-amine
CID 23160266
N-(1-methyl-1H-pyrazol-3-yl)-6-(2-methyl-6-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 23160272
N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 23160285
6-(3-fluoropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160287
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(pyridazin-3-yl)quinazolin-4-amine
CID 23160298

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 23160260) is 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cc1ccc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(S(C)(=O)=O)c1.
What is the InChIKey of 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is UXSQYXDWUHUHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-4-7-17(18(10-13)29(3,26)27)28-14-5-6-16-15(11-14)20(22-12-21-16)23-19-8-9-25(2)24-19/h4-12H,1-3H3,(H,21,22,23,24).
What are the key properties of 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 409.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 23160260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).