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

C19H17N5O3S — CID 11718171

IUPACN-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1
InChIInChI=1S/C19H17N5O3S/c1-24-10-9-18(23-24)22-19-14-11-13(7-8-15(14)20-12-21-19)27-16-5-3-4-6-17(16)28(2,25)26/h3-12H,1-2H3,(H,20,21,22,23)
InChIKeyHNSNAZPWBJZUIR-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.30
Rot. Bonds5

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

N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine (PubChem CID 11718171) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine
PubChem CID11718171
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1
InChIInChI=1S/C19H17N5O3S/c1-24-10-9-18(23-24)22-19-14-11-13(7-8-15(14)20-12-21-19)27-16-5-3-4-6-17(16)28(2,25)26/h3-12H,1-2H3,(H,20,21,22,23)
InChIKeyHNSNAZPWBJZUIR-UHFFFAOYSA-N
XLogP3.30
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine (CID 11718171) is N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine?
The InChIKey is HNSNAZPWBJZUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-24-10-9-18(23-24)22-19-14-11-13(7-8-15(14)20-12-21-19)27-16-5-3-4-6-17(16)28(2,25)26/h3-12H,1-2H3,(H,20,21,22,23).
What are the key properties of N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine?
N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine has a molecular weight of 395.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-6-(2-methylsulfonylphenoxy)quinazolin-4-amine is sourced from PubChem (CID 11718171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).