2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide

C19H20N4O3S — CID 8633148

IUPAC2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
SMILESCCn1c(SCC(=O)NCC(=O)NC)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C19H20N4O3S/c1-3-23-18(26)14-8-12-6-4-5-7-13(12)9-15(14)22-19(23)27-11-17(25)21-10-16(24)20-2/h4-9H,3,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNQSWAOMWMITLPF-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.52
Rot. Bonds6

About 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide

2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide (PubChem CID 8633148) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
PubChem CID8633148
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
SMILESCCn1c(SCC(=O)NCC(=O)NC)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C19H20N4O3S/c1-3-23-18(26)14-8-12-6-4-5-7-13(12)9-15(14)22-19(23)27-11-17(25)21-10-16(24)20-2/h4-9H,3,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNQSWAOMWMITLPF-UHFFFAOYSA-N
XLogP1.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 8674945
N-carbamoyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674882
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-[(2S)-3-methylbutan-2-yl]acetamide
CID 8674943
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 8674979
N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8973360
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 8674833
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-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8674921
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674854
3-ethyl-2-(3-hydroxypropylsulfanyl)benzo[g]quinazolin-4-one
CID 110878644
2-benzylsulfanyl-3-ethylbenzo[g]quinazolin-4-one
CID 8674808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide (CID 8633148) is 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide is CCn1c(SCC(=O)NCC(=O)NC)nc2cc3ccccc3cc2c1=O.
What is the InChIKey of 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide?
The InChIKey is NQSWAOMWMITLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-23-18(26)14-8-12-6-4-5-7-13(12)9-15(14)22-19(23)27-11-17(25)21-10-16(24)20-2/h4-9H,3,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide?
2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide has a molecular weight of 384.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide is sourced from PubChem (CID 8633148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).