6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide

C21H21N3O5S — CID 43831697

IUPAC6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c2c1
InChIInChI=1S/C21H21N3O5S/c1-29-15-6-9-19-17(12-15)20(25)18(13-22-19)21(26)23-14-4-7-16(8-5-14)30(27,28)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyAARLOZBEYLMJGO-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.57
Rot. Bonds5

About 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide

6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide (PubChem CID 43831697) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
PubChem CID43831697
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c2c1
InChIInChI=1S/C21H21N3O5S/c1-29-15-6-9-19-17(12-15)20(25)18(13-22-19)21(26)23-14-4-7-16(8-5-14)30(27,28)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyAARLOZBEYLMJGO-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

6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 15990593
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide (CID 43831697) is 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide?
The InChIKey is AARLOZBEYLMJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-29-15-6-9-19-17(12-15)20(25)18(13-22-19)21(26)23-14-4-7-16(8-5-14)30(27,28)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide?
6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide 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 6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43831697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).