3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

C21H22N4O3S — CID 35376766

IUPAC3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-14-6-8-16(9-7-14)29-12-19(27)24-23-18(26)10-11-25-13-22-20-15(2)4-3-5-17(20)21(25)28/h3-9,13H,10-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYMJSRCFHQBJWQE-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.34
Rot. Bonds6

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (PubChem CID 35376766) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
PubChem CID35376766
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-14-6-8-16(9-7-14)29-12-19(27)24-23-18(26)10-11-25-13-22-20-15(2)4-3-5-17(20)21(25)28/h3-9,13H,10-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYMJSRCFHQBJWQE-UHFFFAOYSA-N
XLogP2.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.34
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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Related Compounds

N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
CID 35410513
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119607074
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46698413
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide
CID 55811016

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (CID 35376766) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is Cc1ccc(SCC(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is YMJSRCFHQBJWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-6-8-16(9-7-14)29-12-19(27)24-23-18(26)10-11-25-13-22-20-15(2)4-3-5-17(20)21(25)28/h3-9,13H,10-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 410.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 35376766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).