N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide

C20H20N4O3S — CID 1435001

IUPACN'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide
SMILESCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N4O3S/c1-3-17-21-16-7-5-4-6-15(16)20(22-17)28-12-18(25)23-24-19(26)13-8-10-14(27-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZAQWDOVEFXKWFO-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.75
Rot. Bonds6

About N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide

N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide (PubChem CID 1435001) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide
PubChem CID1435001
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide
SMILESCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N4O3S/c1-3-17-21-16-7-5-4-6-15(16)20(22-17)28-12-18(25)23-24-19(26)13-8-10-14(27-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZAQWDOVEFXKWFO-UHFFFAOYSA-N
XLogP2.75
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.75
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'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide (CID 1435001) is N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide is CCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
The InChIKey is ZAQWDOVEFXKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-17-21-16-7-5-4-6-15(16)20(22-17)28-12-18(25)23-24-19(26)13-8-10-14(27-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide has a molecular weight of 396.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 1435001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).