6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one

C17H15N3O5S — CID 110406799

IUPAC6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O5S/c1-25-10-2-5-15-12(8-10)16(21)6-7-20(15)26(23,24)11-3-4-13-14(9-11)19-17(22)18-13/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)
InChIKeySHNDDSBTOYSQGM-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.65
Rot. Bonds3

About 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one

6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one (PubChem CID 110406799) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
PubChem CID110406799
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O5S/c1-25-10-2-5-15-12(8-10)16(21)6-7-20(15)26(23,24)11-3-4-13-14(9-11)19-17(22)18-13/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)
InChIKeySHNDDSBTOYSQGM-UHFFFAOYSA-N
XLogP1.65
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one with MolForge

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Related Compounds

1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 110714206
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 9190196
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one (CID 110406799) is 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one?
The InChIKey is SHNDDSBTOYSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-25-10-2-5-15-12(8-10)16(21)6-7-20(15)26(23,24)11-3-4-13-14(9-11)19-17(22)18-13/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22).
What are the key properties of 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one?
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one has a molecular weight of 373.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110406799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).