2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C19H17N5OS — CID 10292186

IUPAC2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1ccccc1Sc1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
InChIInChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-13-7-3-4-8-14(13)20-19(22-18)26-16-10-6-5-9-15(16)25-2/h3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyCWQTZVUENDFTLF-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.56
Rot. Bonds5

About 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10292186) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10292186
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1ccccc1Sc1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
InChIInChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-13-7-3-4-8-14(13)20-19(22-18)26-16-10-6-5-9-15(16)25-2/h3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyCWQTZVUENDFTLF-UHFFFAOYSA-N
XLogP4.56
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10292186) is 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is COc1ccccc1Sc1nc(Nc2cc(C)[nH]n2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is CWQTZVUENDFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-13-7-3-4-8-14(13)20-19(22-18)26-16-10-6-5-9-15(16)25-2/h3-11H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 363.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10292186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).