N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide

C18H23N5O2S — CID 16673853

IUPACN-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cn(C)nc3C)c2c1
InChIInChI=1S/C18H23N5O2S/c1-12-5-6-16-15(9-12)17(10-13(2)21-16)19-7-8-20-26(24,25)18-11-23(4)22-14(18)3/h5-6,9-11,20H,7-8H2,1-4H3,(H,19,21)
InChIKeyPTJBZWCYXJUKEN-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 16673853) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID16673853
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cn(C)nc3C)c2c1
InChIInChI=1S/C18H23N5O2S/c1-12-5-6-16-15(9-12)17(10-13(2)21-16)19-7-8-20-26(24,25)18-11-23(4)22-14(18)3/h5-6,9-11,20H,7-8H2,1-4H3,(H,19,21)
InChIKeyPTJBZWCYXJUKEN-UHFFFAOYSA-N
XLogP2.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 16673853) is N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cn(C)nc3C)c2c1.
What is the InChIKey of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is PTJBZWCYXJUKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-5-6-16-15(9-12)17(10-13(2)21-16)19-7-8-20-26(24,25)18-11-23(4)22-14(18)3/h5-6,9-11,20H,7-8H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16673853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).