1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C20H22N2O3S — CID 20909681

IUPAC1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2CC1C
InChIInChI=1S/C20H22N2O3S/c1-14-12-17-13-18(9-10-20(17)22(14)15(2)23)26(24,25)21-11-5-7-16-6-3-4-8-19(16)21/h3-4,6,8-10,13-14H,5,7,11-12H2,1-2H3
InChIKeyQRSZQBRKYRJJJD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.13
Rot. Bonds2

About 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone

1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 20909681) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID20909681
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2CC1C
InChIInChI=1S/C20H22N2O3S/c1-14-12-17-13-18(9-10-20(17)22(14)15(2)23)26(24,25)21-11-5-7-16-6-3-4-8-19(16)21/h3-4,6,8-10,13-14H,5,7,11-12H2,1-2H3
InChIKeyQRSZQBRKYRJJJD-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754
1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 20853150
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909700
1-[(2S)-5-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 92689394
1-[(2R)-5-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 100893712
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
1-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 119962803
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 55508695
1-[5-(3-aminopiperidin-1-yl)sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119959828
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone
CID 133159945

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 20909681) is 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2CC1C.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is QRSZQBRKYRJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-12-17-13-18(9-10-20(17)22(14)15(2)23)26(24,25)21-11-5-7-16-6-3-4-8-19(16)21/h3-4,6,8-10,13-14H,5,7,11-12H2,1-2H3.
What are the key properties of 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 370.47 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 20909681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).