1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C21H24ClN3O3S — CID 154806728

IUPAC1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1c(Cl)ccc2c1N(CC(=O)N1c3ccc(S(N)(=O)=O)cc3CC1C)CCC2
InChIInChI=1S/C21H24ClN3O3S/c1-13-10-16-11-17(29(23,27)28)6-8-19(16)25(13)20(26)12-24-9-3-4-15-5-7-18(22)14(2)21(15)24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H2,23,27,28)
InChIKeyBNPCGCDTEQLRDI-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 154806728) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID154806728
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1c(Cl)ccc2c1N(CC(=O)N1c3ccc(S(N)(=O)=O)cc3CC1C)CCC2
InChIInChI=1S/C21H24ClN3O3S/c1-13-10-16-11-17(29(23,27)28)6-8-19(16)25(13)20(26)12-24-9-3-4-15-5-7-18(22)14(2)21(15)24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H2,23,27,28)
InChIKeyBNPCGCDTEQLRDI-UHFFFAOYSA-N
XLogP3.03
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 86959289
2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42922246
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991
2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42926134
2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46563920
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42922267
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984
2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46662706
2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 86893523
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
(2S)-1-[2-(N-ethyl-4-fluoroanilino)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 52686297
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 46644162

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 154806728) is 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is Cc1c(Cl)ccc2c1N(CC(=O)N1c3ccc(S(N)(=O)=O)cc3CC1C)CCC2.
What is the InChIKey of 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BNPCGCDTEQLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-13-10-16-11-17(29(23,27)28)6-8-19(16)25(13)20(26)12-24-9-3-4-15-5-7-18(22)14(2)21(15)24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H2,23,27,28).
What are the key properties of 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 433.96 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 154806728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).