N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide

C16H16N4O3S — CID 134868785

IUPACN'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
SMILESCOc1ccc2c(NNS(=O)(=O)c3ccc(C)cc3)ncnc2c1
InChIInChI=1S/C16H16N4O3S/c1-11-3-6-13(7-4-11)24(21,22)20-19-16-14-8-5-12(23-2)9-15(14)17-10-18-16/h3-10,20H,1-2H3,(H,17,18,19)
InChIKeyIHUXAKKDYYHIPS-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.25
Rot. Bonds5

About N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide

N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide (PubChem CID 134868785) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
PubChem CID134868785
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
SMILESCOc1ccc2c(NNS(=O)(=O)c3ccc(C)cc3)ncnc2c1
InChIInChI=1S/C16H16N4O3S/c1-11-3-6-13(7-4-11)24(21,22)20-19-16-14-8-5-12(23-2)9-15(14)17-10-18-16/h3-10,20H,1-2H3,(H,17,18,19)
InChIKeyIHUXAKKDYYHIPS-UHFFFAOYSA-N
XLogP2.25
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.25
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 N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide (CID 134868785) is N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide is COc1ccc2c(NNS(=O)(=O)c3ccc(C)cc3)ncnc2c1.
What is the InChIKey of N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
The InChIKey is IHUXAKKDYYHIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-3-6-13(7-4-11)24(21,22)20-19-16-14-8-5-12(23-2)9-15(14)17-10-18-16/h3-10,20H,1-2H3,(H,17,18,19).
What are the key properties of N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide has a molecular weight of 344.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 134868785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).