2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide

C17H17N5O2S — CID 127049944

IUPAC2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide
SMILESNNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
InChIInChI=1S/C17H17N5O2S/c18-21-15(23)11-25-17-20-14-7-2-1-6-13(14)16(24)22(17)10-8-12-5-3-4-9-19-12/h1-7,9H,8,10-11,18H2,(H,21,23)
InChIKeyIAQJJEKONQRALD-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.12
Rot. Bonds6

About 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide

2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide (PubChem CID 127049944) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide.

Molecular Properties

Compound Name2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide
PubChem CID127049944
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide
SMILESNNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
InChIInChI=1S/C17H17N5O2S/c18-21-15(23)11-25-17-20-14-7-2-1-6-13(14)16(24)22(17)10-8-12-5-3-4-9-19-12/h1-7,9H,8,10-11,18H2,(H,21,23)
InChIKeyIAQJJEKONQRALD-UHFFFAOYSA-N
XLogP1.12
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide?
The IUPAC name of 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide (CID 127049944) is 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide.
What is the SMILES notation for 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide?
The canonical SMILES for 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide is NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1.
What is the InChIKey of 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide?
The InChIKey is IAQJJEKONQRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c18-21-15(23)11-25-17-20-14-7-2-1-6-13(14)16(24)22(17)10-8-12-5-3-4-9-19-12/h1-7,9H,8,10-11,18H2,(H,21,23).
What are the key properties of 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide?
2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide has a molecular weight of 355.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetohydrazide is sourced from PubChem (CID 127049944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).