3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide

C22H23N3O4S — CID 126457207

IUPAC3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
SMILESCCn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H23N3O4S/c1-4-24-14-18(22(27)25-12-11-15-7-5-6-8-19(15)25)21(26)17-13-16(9-10-20(17)24)30(28,29)23(2)3/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyLUMJDZTUVZUCAV-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.47
Rot. Bonds4

About 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide

3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide (PubChem CID 126457207) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
PubChem CID126457207
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
SMILESCCn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H23N3O4S/c1-4-24-14-18(22(27)25-12-11-15-7-5-6-8-19(15)25)21(26)17-13-16(9-10-20(17)24)30(28,29)23(2)3/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyLUMJDZTUVZUCAV-UHFFFAOYSA-N
XLogP2.47
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide 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

1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
CID 39851032
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 20859389
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234
N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 26769678
3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 31886530
3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
CID 20859043
N-[2-[6-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]benzamide
CID 167970462
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide (CID 126457207) is 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide is CCn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide?
The InChIKey is LUMJDZTUVZUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-4-24-14-18(22(27)25-12-11-15-7-5-6-8-19(15)25)21(26)17-13-16(9-10-20(17)24)30(28,29)23(2)3/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide?
3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide has a molecular weight of 425.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 126457207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).