3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide

C22H25N3O3S — CID 55816008

IUPAC3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)cccc2c1
InChIInChI=1S/C22H25N3O3S/c1-17-12-20-6-3-7-21(22(20)23-14-17)29(26,27)24-15-18-4-2-5-19(13-18)16-25-8-10-28-11-9-25/h2-7,12-14,24H,8-11,15-16H2,1H3
InChIKeyFNXZVGPLWBOWJN-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.85
Rot. Bonds6

About 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide

3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide (PubChem CID 55816008) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
PubChem CID55816008
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)cccc2c1
InChIInChI=1S/C22H25N3O3S/c1-17-12-20-6-3-7-21(22(20)23-14-17)29(26,27)24-15-18-4-2-5-19(13-18)16-25-8-10-28-11-9-25/h2-7,12-14,24H,8-11,15-16H2,1H3
InChIKeyFNXZVGPLWBOWJN-UHFFFAOYSA-N
XLogP2.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide (CID 55816008) is 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)cccc2c1.
What is the InChIKey of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide?
The InChIKey is FNXZVGPLWBOWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-17-12-20-6-3-7-21(22(20)23-14-17)29(26,27)24-15-18-4-2-5-19(13-18)16-25-8-10-28-11-9-25/h2-7,12-14,24H,8-11,15-16H2,1H3.
What are the key properties of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide?
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 55816008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).