4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide

C21H22N4O3S — CID 1442627

IUPAC4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
SMILESCCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C21H22N4O3S/c1-3-6-18-22-17-8-5-4-7-16(17)21(23-18)29-13-19(26)24-25-20(27)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIMJYWUVLQTYIEI-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.14
Rot. Bonds7

About 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide

4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide (PubChem CID 1442627) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
PubChem CID1442627
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
SMILESCCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C21H22N4O3S/c1-3-6-18-22-17-8-5-4-7-16(17)21(23-18)29-13-19(26)24-25-20(27)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIMJYWUVLQTYIEI-UHFFFAOYSA-N
XLogP3.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide (CID 1442627) is 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide is CCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is IMJYWUVLQTYIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-6-18-22-17-8-5-4-7-16(17)21(23-18)29-13-19(26)24-25-20(27)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide?
4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 410.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 1442627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).