N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide

C21H21N3O5S — CID 15990593

IUPACN-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCC4)c(=O)c3c2)c1
InChIInChI=1S/C21H21N3O5S/c1-29-15-6-4-5-14(11-15)23-30(27,28)16-7-8-19-17(12-16)20(25)18(13-22-19)21(26)24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,22,25)
InChIKeyXXNPPDIRWYOGMU-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.57
Rot. Bonds5

About N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide

N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide (PubChem CID 15990593) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
PubChem CID15990593
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCC4)c(=O)c3c2)c1
InChIInChI=1S/C21H21N3O5S/c1-29-15-6-4-5-14(11-15)23-30(27,28)16-7-8-19-17(12-16)20(25)18(13-22-19)21(26)24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,22,25)
InChIKeyXXNPPDIRWYOGMU-UHFFFAOYSA-N
XLogP2.57
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
N-(4-ethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 6622035
3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990627
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 15990889
N-[(2-chlorophenyl)methyl]-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15993696
6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
CID 43831697
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604631
4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
CID 5131637
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide (CID 15990593) is N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCC4)c(=O)c3c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide?
The InChIKey is XXNPPDIRWYOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-29-15-6-4-5-14(11-15)23-30(27,28)16-7-8-19-17(12-16)20(25)18(13-22-19)21(26)24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,22,25).
What are the key properties of N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide?
N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide has a molecular weight of 427.48 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 15990593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).