3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide

C23H23N3O4S — CID 2620960

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H23N3O4S/c1-30-21-11-10-19(23(27)25-16-17-6-4-12-24-15-17)14-22(21)31(28,29)26-13-5-8-18-7-2-3-9-20(18)26/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3,(H,25,27)
InChIKeyYIDZICMZXQLOHO-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.16
Rot. Bonds6

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2620960) 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-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2620960
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H23N3O4S/c1-30-21-11-10-19(23(27)25-16-17-6-4-12-24-15-17)14-22(21)31(28,29)26-13-5-8-18-7-2-3-9-20(18)26/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3,(H,25,27)
InChIKeyYIDZICMZXQLOHO-UHFFFAOYSA-N
XLogP3.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[[2-methoxy-5-[3-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
CID 166633833
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide
CID 122191827
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390939
4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 984439
4-methoxy-3-(4-morpholinylsulfonyl)-N-(3-pyridinylmethyl)benzamide
CID 1309905
Cambridge id 6682892
CID 1330364
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
N-(2-methoxy-5-methylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 2210206
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 2476404
4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2486297

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 2620960) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YIDZICMZXQLOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-21-11-10-19(23(27)25-16-17-6-4-12-24-15-17)14-22(21)31(28,29)26-13-5-8-18-7-2-3-9-20(18)26/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3,(H,25,27).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.16, 6 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-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2620960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).