N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine

C24H26N4O2S — CID 56706988

IUPACN-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccc3ncccc3c2)n1Cc1ccccc1
InChIInChI=1S/C24H26N4O2S/c1-3-31(29,30)24-26-15-22(28(24)17-19-8-5-4-6-9-19)18-27(2)16-20-11-12-23-21(14-20)10-7-13-25-23/h4-15H,3,16-18H2,1-2H3
InChIKeyCGVLTSRTBIVEMZ-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.91
Rot. Bonds8

About N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine

N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 56706988) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound NameN-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID56706988
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccc3ncccc3c2)n1Cc1ccccc1
InChIInChI=1S/C24H26N4O2S/c1-3-31(29,30)24-26-15-22(28(24)17-19-8-5-4-6-9-19)18-27(2)16-20-11-12-23-21(14-20)10-7-13-25-23/h4-15H,3,16-18H2,1-2H3
InChIKeyCGVLTSRTBIVEMZ-UHFFFAOYSA-N
XLogP3.91
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine (CID 56706988) is N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine is CCS(=O)(=O)c1ncc(CN(C)Cc2ccc3ncccc3c2)n1Cc1ccccc1.
What is the InChIKey of N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is CGVLTSRTBIVEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-3-31(29,30)24-26-15-22(28(24)17-19-8-5-4-6-9-19)18-27(2)16-20-11-12-23-21(14-20)10-7-13-25-23/h4-15H,3,16-18H2,1-2H3.
What are the key properties of N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine?
N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 434.57 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 56706988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).