2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide

C21H20N4O3S — CID 5329383

IUPAC2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)NC3CCNC3)ccc2[nH]1
InChIInChI=1S/C21H20N4O3S/c26-21-17(10-13-3-1-2-4-18(13)24-21)20-11-14-9-16(5-6-19(14)23-20)29(27,28)25-15-7-8-22-12-15/h1-6,9-11,15,22-23,25H,7-8,12H2,(H,24,26)
InChIKeyFUZZKPYNTCKKSN-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide

2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide (PubChem CID 5329383) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide
PubChem CID5329383
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)NC3CCNC3)ccc2[nH]1
InChIInChI=1S/C21H20N4O3S/c26-21-17(10-13-3-1-2-4-18(13)24-21)20-11-14-9-16(5-6-19(14)23-20)29(27,28)25-15-7-8-22-12-15/h1-6,9-11,15,22-23,25H,7-8,12H2,(H,24,26)
InChIKeyFUZZKPYNTCKKSN-UHFFFAOYSA-N
XLogP2.32
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide?
The IUPAC name of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide (CID 5329383) is 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide?
The canonical SMILES for 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide is O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)NC3CCNC3)ccc2[nH]1.
What is the InChIKey of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide?
The InChIKey is FUZZKPYNTCKKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c26-21-17(10-13-3-1-2-4-18(13)24-21)20-11-14-9-16(5-6-19(14)23-20)29(27,28)25-15-7-8-22-12-15/h1-6,9-11,15,22-23,25H,7-8,12H2,(H,24,26).
What are the key properties of 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide?
2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-quinolin-3-yl)-N-pyrrolidin-3-yl-1H-indole-5-sulfonamide is sourced from PubChem (CID 5329383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).