1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one

C18H17N3O5S — CID 110427320

IUPAC1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(S(=O)(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc21
InChIInChI=1S/C18H17N3O5S/c1-19-16-6-5-15(10-13(16)3-7-18(19)22)27(25,26)20-9-8-12-2-4-14(21(23)24)11-17(12)20/h2,4-6,10-11H,3,7-9H2,1H3
InChIKeyLLMKUXNXMLTXKG-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.26
Rot. Bonds3

About 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one (PubChem CID 110427320) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
PubChem CID110427320
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(S(=O)(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc21
InChIInChI=1S/C18H17N3O5S/c1-19-16-6-5-15(10-13(16)3-7-18(19)22)27(25,26)20-9-8-12-2-4-14(21(23)24)11-17(12)20/h2,4-6,10-11H,3,7-9H2,1H3
InChIKeyLLMKUXNXMLTXKG-UHFFFAOYSA-N
XLogP2.26
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-nitro-1-(4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110287404
1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
CID 154784937
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133453952
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
4,5-dichloro-2-[4-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
CID 31535113
1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 110287385
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 71691319
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 95756856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one (CID 110427320) is 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(S(=O)(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc21.
What is the InChIKey of 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one?
The InChIKey is LLMKUXNXMLTXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-19-16-6-5-15(10-13(16)3-7-18(19)22)27(25,26)20-9-8-12-2-4-14(21(23)24)11-17(12)20/h2,4-6,10-11H,3,7-9H2,1H3.
What are the key properties of 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one has a molecular weight of 387.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 110427320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).