N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C23H25N3O5S — CID 3597280

IUPACN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H25N3O5S/c1-31-19-7-4-17-14-18(23(28)25-21(17)15-19)10-11-24-22(27)16-5-8-20(9-6-16)32(29,30)26-12-2-3-13-26/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRYLNXJZUSRVOSJ-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3597280) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3597280
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H25N3O5S/c1-31-19-7-4-17-14-18(23(28)25-21(17)15-19)10-11-24-22(27)16-5-8-20(9-6-16)32(29,30)26-12-2-3-13-26/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRYLNXJZUSRVOSJ-UHFFFAOYSA-N
XLogP2.29
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-[2-(7-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044835
N-(3-methoxyphenyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 1085739
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3900901
N-(4-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 16422713
N-Cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 15990893
4-fluoro-N-(3-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 26914637
N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118932979
N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933134
N-(3-methoxyphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9330053

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 3597280) is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RYLNXJZUSRVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-31-19-7-4-17-14-18(23(28)25-21(17)15-19)10-11-24-22(27)16-5-8-20(9-6-16)32(29,30)26-12-2-3-13-26/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 455.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3597280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).