N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

C23H21N3O8S — CID 55340988

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc13)OCO2
InChIInChI=1S/C23H21N3O8S/c1-13(27)15-9-20-21(34-12-33-20)11-19(15)25-23(29)17-10-22(28)24-18-3-2-14(8-16(17)18)35(30,31)26-4-6-32-7-5-26/h2-3,8-11H,4-7,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyMMRXXRQRHRDEQG-UHFFFAOYSA-N
MW499.50 g/mol
LogP1.73
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55340988) has the molecular formula C23H21N3O8S and a molecular weight of 499.50 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55340988
Molecular FormulaC23H21N3O8S
Molecular Weight499.50 g/mol
Exact Mass499.10
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc13)OCO2
InChIInChI=1S/C23H21N3O8S/c1-13(27)15-9-20-21(34-12-33-20)11-19(15)25-23(29)17-10-22(28)24-18-3-2-14(8-16(17)18)35(30,31)26-4-6-32-7-5-26/h2-3,8-11H,4-7,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyMMRXXRQRHRDEQG-UHFFFAOYSA-N
XLogP1.73
TPSA144.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55671311
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-oxochromen-6-yl)-1H-quinoline-4-carboxamide
CID 55978558
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 55340988) is N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc13)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is MMRXXRQRHRDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O8S/c1-13(27)15-9-20-21(34-12-33-20)11-19(15)25-23(29)17-10-22(28)24-18-3-2-14(8-16(17)18)35(30,31)26-4-6-32-7-5-26/h2-3,8-11H,4-7,12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55340988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).