6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide

C23H27N3O6S — CID 3238410

IUPAC6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1
InChIInChI=1S/C23H27N3O6S/c1-15(2)32-11-5-10-24-23(28)20-14-25-21-9-8-18(13-19(21)22(20)27)33(29,30)26-16-6-4-7-17(12-16)31-3/h4,6-9,12-15,26H,5,10-11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyTZYCDUWMSUQNOM-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.88
Rot. Bonds10

About 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide

6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide (PubChem CID 3238410) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide
PubChem CID3238410
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1
InChIInChI=1S/C23H27N3O6S/c1-15(2)32-11-5-10-24-23(28)20-14-25-21-9-8-18(13-19(21)22(20)27)33(29,30)26-16-6-4-7-17(12-16)31-3/h4,6-9,12-15,26H,5,10-11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyTZYCDUWMSUQNOM-UHFFFAOYSA-N
XLogP2.88
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Sulfonamide-01
CID 11532283
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
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-(3-ethoxypropyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 3217672
N-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3638189
2-[(7-Methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzoic acid methyl ester
CID 653653
Cambridge id 7149841
CID 1164173
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1298197
6-{[(4-ethoxyphenyl)amino]sulfonyl}-N,N-diethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3236487
1-ethyl-N-(2-furylmethyl)-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3236790
N-(furan-2-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
CID 3239267

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide (CID 3238410) is 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide is COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide?
The InChIKey is TZYCDUWMSUQNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-15(2)32-11-5-10-24-23(28)20-14-25-21-9-8-18(13-19(21)22(20)27)33(29,30)26-16-6-4-7-17(12-16)31-3/h4,6-9,12-15,26H,5,10-11H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide?
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 2.88, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3238410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).