N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide

C16H21N3O2S — CID 167781078

IUPACN-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CN(C)CC2C)c2cccnc12
InChIInChI=1S/C16H21N3O2S/c1-11-6-7-15(13-5-4-8-17-16(11)13)22(20,21)18-14-10-19(3)9-12(14)2/h4-8,12,14,18H,9-10H2,1-3H3
InChIKeyHKTNQFIQJIUBFO-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.77
Rot. Bonds3

About N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide

N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide (PubChem CID 167781078) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
PubChem CID167781078
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CN(C)CC2C)c2cccnc12
InChIInChI=1S/C16H21N3O2S/c1-11-6-7-15(13-5-4-8-17-16(11)13)22(20,21)18-14-10-19(3)9-12(14)2/h4-8,12,14,18H,9-10H2,1-3H3
InChIKeyHKTNQFIQJIUBFO-UHFFFAOYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide (CID 167781078) is N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC2CN(C)CC2C)c2cccnc12.
What is the InChIKey of N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide?
The InChIKey is HKTNQFIQJIUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-6-7-15(13-5-4-8-17-16(11)13)22(20,21)18-14-10-19(3)9-12(14)2/h4-8,12,14,18H,9-10H2,1-3H3.
What are the key properties of N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide?
N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 167781078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).