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

C24H25N3O5S — CID 43046318

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)ccn1
InChIInChI=1S/C24H25N3O5S/c1-31-21-10-9-19(24(28)26-16-17-11-12-25-23(14-17)32-2)15-22(21)33(29,30)27-13-5-7-18-6-3-4-8-20(18)27/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,26,28)
InChIKeyRIDNZKUOSVGDHW-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.17
Rot. Bonds7

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

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (PubChem CID 43046318) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
PubChem CID43046318
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)ccn1
InChIInChI=1S/C24H25N3O5S/c1-31-21-10-9-19(24(28)26-16-17-11-12-25-23(14-17)32-2)15-22(21)33(29,30)27-13-5-7-18-6-3-4-8-20(18)27/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,26,28)
InChIKeyRIDNZKUOSVGDHW-UHFFFAOYSA-N
XLogP3.17
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 3997114
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241457
N-(2-aminoethyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
CID 119383156
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2576633
phenyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 4527658
N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
CID 27702630
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 2596134
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 47032081
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55659114
naphthalen-1-ylmethyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 2540593
4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46466460
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (CID 43046318) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)ccn1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is RIDNZKUOSVGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-31-21-10-9-19(24(28)26-16-17-11-12-25-23(14-17)32-2)15-22(21)33(29,30)27-13-5-7-18-6-3-4-8-20(18)27/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,26,28).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 43046318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).