2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone

C22H21N3O3S — CID 5307593

IUPAC2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21
InChIInChI=1S/C22H21N3O3S/c26-22(24-15-12-16-6-1-2-9-18(16)24)19-10-5-14-25(19)29(27,28)20-11-3-7-17-8-4-13-23-21(17)20/h1-4,6-9,11,13,19H,5,10,12,14-15H2
InChIKeyCOWAPCOOPGSRHY-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.98
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone

2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 5307593) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
PubChem CID5307593
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21
InChIInChI=1S/C22H21N3O3S/c26-22(24-15-12-16-6-1-2-9-18(16)24)19-10-5-14-25(19)29(27,28)20-11-3-7-17-8-4-13-23-21(17)20/h1-4,6-9,11,13,19H,5,10,12,14-15H2
InChIKeyCOWAPCOOPGSRHY-UHFFFAOYSA-N
XLogP2.98
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone (CID 5307593) is 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone is O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is COWAPCOOPGSRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-22(24-15-12-16-6-1-2-9-18(16)24)19-10-5-14-25(19)29(27,28)20-11-3-7-17-8-4-13-23-21(17)20/h1-4,6-9,11,13,19H,5,10,12,14-15H2.
What are the key properties of 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 407.50 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 5307593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).