3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide

C20H19N3O3S — CID 31046790

IUPAC3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccccc3N3CCCC3=O)cccc2c1
InChIInChI=1S/C20H19N3O3S/c1-14-12-15-6-4-9-18(20(15)21-13-14)27(25,26)22-16-7-2-3-8-17(16)23-11-5-10-19(23)24/h2-4,6-9,12-13,22H,5,10-11H2,1H3
InChIKeyJCZUXYMQSWZCOQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.47
Rot. Bonds4

About 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide

3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide (PubChem CID 31046790) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
PubChem CID31046790
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccccc3N3CCCC3=O)cccc2c1
InChIInChI=1S/C20H19N3O3S/c1-14-12-15-6-4-9-18(20(15)21-13-14)27(25,26)22-16-7-2-3-8-17(16)23-11-5-10-19(23)24/h2-4,6-9,12-13,22H,5,10-11H2,1H3
InChIKeyJCZUXYMQSWZCOQ-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide (CID 31046790) is 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3ccccc3N3CCCC3=O)cccc2c1.
What is the InChIKey of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide?
The InChIKey is JCZUXYMQSWZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-12-15-6-4-9-18(20(15)21-13-14)27(25,26)22-16-7-2-3-8-17(16)23-11-5-10-19(23)24/h2-4,6-9,12-13,22H,5,10-11H2,1H3.
What are the key properties of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide?
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 31046790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).