3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide

C23H23N3O4S — CID 24979428

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cn2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H23N3O4S/c1-16-9-12-22(24-15-16)25-23(27)18-10-11-20(30-2)21(14-18)31(28,29)26-13-5-7-17-6-3-4-8-19(17)26/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,24,25,27)
InChIKeyBNRDOWDUQMGTEO-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.79
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 24979428) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID24979428
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cn2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H23N3O4S/c1-16-9-12-22(24-15-16)25-23(27)18-10-11-20(30-2)21(14-18)31(28,29)26-13-5-7-17-6-3-4-8-19(17)26/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,24,25,27)
InChIKeyBNRDOWDUQMGTEO-UHFFFAOYSA-N
XLogP3.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide 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 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide (CID 24979428) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc(C)cn2)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is BNRDOWDUQMGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16-9-12-22(24-15-16)25-23(27)18-10-11-20(30-2)21(14-18)31(28,29)26-13-5-7-17-6-3-4-8-19(17)26/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,24,25,27).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24979428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).