4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

C21H19N3O3S — CID 2441284

IUPAC4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(C)cc(SCC(=O)N3CC(=O)Nc4ccccc43)nc2c1
InChIInChI=1S/C21H19N3O3S/c1-13-9-20(23-17-10-14(27-2)7-8-15(13)17)28-12-21(26)24-11-19(25)22-16-5-3-4-6-18(16)24/h3-10H,11-12H2,1-2H3,(H,22,25)
InChIKeyWCOAFAIDVFUUCJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.63
Rot. Bonds4

About 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2441284) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2441284
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(C)cc(SCC(=O)N3CC(=O)Nc4ccccc43)nc2c1
InChIInChI=1S/C21H19N3O3S/c1-13-9-20(23-17-10-14(27-2)7-8-15(13)17)28-12-21(26)24-11-19(25)22-16-5-3-4-6-18(16)24/h3-10H,11-12H2,1-2H3,(H,22,25)
InChIKeyWCOAFAIDVFUUCJ-UHFFFAOYSA-N
XLogP3.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 4817791
4-[4-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 16864002
4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2089256
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2394470
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825
3-(3,4-dimethylphenyl)-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 2558311
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 3207404

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (CID 2441284) is 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is COc1ccc2c(C)cc(SCC(=O)N3CC(=O)Nc4ccccc43)nc2c1.
What is the InChIKey of 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WCOAFAIDVFUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-9-20(23-17-10-14(27-2)7-8-15(13)17)28-12-21(26)24-11-19(25)22-16-5-3-4-6-18(16)24/h3-10H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 393.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2441284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).