N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide

C18H18N4O3S — CID 8674995

IUPACN'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide
SMILESCCn1c(SCC(=O)NNC(C)=O)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C18H18N4O3S/c1-3-22-17(25)14-8-12-6-4-5-7-13(12)9-15(14)19-18(22)26-10-16(24)21-20-11(2)23/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKYSXUFFBRBPYBZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.83
Rot. Bonds4

About N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide

N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide (PubChem CID 8674995) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide
PubChem CID8674995
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide
SMILESCCn1c(SCC(=O)NNC(C)=O)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C18H18N4O3S/c1-3-22-17(25)14-8-12-6-4-5-7-13(12)9-15(14)19-18(22)26-10-16(24)21-20-11(2)23/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKYSXUFFBRBPYBZ-UHFFFAOYSA-N
XLogP1.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 8674979
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-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8674921
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-(4-ethylphenyl)acetamide
CID 8674833
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674854
N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8973360
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 N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide (CID 8674995) is N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide is CCn1c(SCC(=O)NNC(C)=O)nc2cc3ccccc3cc2c1=O.
What is the InChIKey of N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide?
The InChIKey is KYSXUFFBRBPYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-22-17(25)14-8-12-6-4-5-7-13(12)9-15(14)19-18(22)26-10-16(24)21-20-11(2)23/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide?
N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide has a molecular weight of 370.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 8674995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).