2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide

C19H17N5O2S — CID 90608312

IUPAC2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)Nc3ccc(-n4ccnc4C)nc3)c2n1
InChIInChI=1S/C19H17N5O2S/c1-13-6-7-15-4-3-5-17(19(15)22-13)27(25,26)23-16-8-9-18(21-12-16)24-11-10-20-14(24)2/h3-12,23H,1-2H3
InChIKeyZTROWRQPEUWDDS-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide

2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide (PubChem CID 90608312) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide
PubChem CID90608312
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)Nc3ccc(-n4ccnc4C)nc3)c2n1
InChIInChI=1S/C19H17N5O2S/c1-13-6-7-15-4-3-5-17(19(15)22-13)27(25,26)23-16-8-9-18(21-12-16)24-11-10-20-14(24)2/h3-12,23H,1-2H3
InChIKeyZTROWRQPEUWDDS-UHFFFAOYSA-N
XLogP3.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide?
The IUPAC name of 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide (CID 90608312) is 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide.
What is the SMILES notation for 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide?
The canonical SMILES for 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide is Cc1ccc2cccc(S(=O)(=O)Nc3ccc(-n4ccnc4C)nc3)c2n1.
What is the InChIKey of 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide?
The InChIKey is ZTROWRQPEUWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-13-6-7-15-4-3-5-17(19(15)22-13)27(25,26)23-16-8-9-18(21-12-16)24-11-10-20-14(24)2/h3-12,23H,1-2H3.
What are the key properties of 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide?
2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90608312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).