N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide

C21H24N4O3S — CID 8973360

IUPACN-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC
InChIInChI=1S/C21H24N4O3S/c1-3-5-10-22-20(28)24-18(26)13-29-21-23-17-12-15-9-7-6-8-14(15)11-16(17)19(27)25(21)4-2/h6-9,11-12H,3-5,10,13H2,1-2H3,(H2,22,24,26,28)
InChIKeyGQAZWIUSRQTBHL-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.29
Rot. Bonds7

About N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide

N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide (PubChem CID 8973360) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
PubChem CID8973360
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC
InChIInChI=1S/C21H24N4O3S/c1-3-5-10-22-20(28)24-18(26)13-29-21-23-17-12-15-9-7-6-8-14(15)11-16(17)19(27)25(21)4-2/h6-9,11-12H,3-5,10,13H2,1-2H3,(H2,22,24,26,28)
InChIKeyGQAZWIUSRQTBHL-UHFFFAOYSA-N
XLogP3.29
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674882
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8674943
2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8633148
N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide
CID 8674995
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 8674945
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8674846
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 8674979
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
CID 18078900
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 8674833
N-(butylcarbamoyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27361380
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8674921
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674854

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide (CID 8973360) is N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC.
What is the InChIKey of N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide?
The InChIKey is GQAZWIUSRQTBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-5-10-22-20(28)24-18(26)13-29-21-23-17-12-15-9-7-6-8-14(15)11-16(17)19(27)25(21)4-2/h6-9,11-12H,3-5,10,13H2,1-2H3,(H2,22,24,26,28).
What are the key properties of N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide?
N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide has a molecular weight of 412.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8973360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).