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

C21H22N2O3S — CID 3244754

IUPACcyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H22N2O3S/c24-21(16-7-8-16)22-13-11-17-14-18(9-10-19(17)22)27(25,26)23-12-3-5-15-4-1-2-6-20(15)23/h1-2,4,6,9-10,14,16H,3,5,7-8,11-13H2
InChIKeyKSUSRCVXHBDRST-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.13
Rot. Bonds3

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

cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 3244754) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID3244754
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Namecyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H22N2O3S/c24-21(16-7-8-16)22-13-11-17-14-18(9-10-19(17)22)27(25,26)23-12-3-5-15-4-1-2-6-20(15)23/h1-2,4,6,9-10,14,16H,3,5,7-8,11-13H2
InChIKeyKSUSRCVXHBDRST-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909681
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
methyl 4-[5-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 3243580
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
cyclopropyl-[5-(3-fluoro-4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
CID 91911973
1-[7-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone
CID 70758696

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone (CID 3244754) is cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone is O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21.
What is the InChIKey of cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is KSUSRCVXHBDRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-21(16-7-8-16)22-13-11-17-14-18(9-10-19(17)22)27(25,26)23-12-3-5-15-4-1-2-6-20(15)23/h1-2,4,6,9-10,14,16H,3,5,7-8,11-13H2.
What are the key properties of cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone?
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 3244754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).