2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C25H25N3O2S — CID 30082558

IUPAC2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C25H25N3O2S/c1-4-28-24(30)21-13-18-10-7-8-11-19(18)14-22(21)26-25(28)31-16-23(29)27(3)15-20-12-6-5-9-17(20)2/h5-14H,4,15-16H2,1-3H3
InChIKeyIQVLODWQBALKEB-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.63
Rot. Bonds6

About 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 30082558) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID30082558
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C25H25N3O2S/c1-4-28-24(30)21-13-18-10-7-8-11-19(18)14-22(21)26-25(28)31-16-23(29)27(3)15-20-12-6-5-9-17(20)2/h5-14H,4,15-16H2,1-3H3
InChIKeyIQVLODWQBALKEB-UHFFFAOYSA-N
XLogP4.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethylphenyl)acetamide
CID 8674979
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4821809
2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828639
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
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
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-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one
CID 8674821

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 30082558) is 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide is CCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2cc3ccccc3cc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is IQVLODWQBALKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-4-28-24(30)21-13-18-10-7-8-11-19(18)14-22(21)26-25(28)31-16-23(29)27(3)15-20-12-6-5-9-17(20)2/h5-14H,4,15-16H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 30082558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).