4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide

C23H24N4O5S — CID 69119203

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(S(=O)(=O)NC3CCOCC3)cccc2c1Nc1cccc2c1CCO2
InChIInChI=1S/C23H24N4O5S/c24-23(28)17-13-25-22-16(21(17)26-18-4-2-5-19-15(18)9-12-32-19)3-1-6-20(22)33(29,30)27-14-7-10-31-11-8-14/h1-6,13-14,27H,7-12H2,(H2,24,28)(H,25,26)
InChIKeySNNDEDXDYMLOKD-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.47
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide

4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide (PubChem CID 69119203) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide
PubChem CID69119203
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(S(=O)(=O)NC3CCOCC3)cccc2c1Nc1cccc2c1CCO2
InChIInChI=1S/C23H24N4O5S/c24-23(28)17-13-25-22-16(21(17)26-18-4-2-5-19-15(18)9-12-32-19)3-1-6-20(22)33(29,30)27-14-7-10-31-11-8-14/h1-6,13-14,27H,7-12H2,(H2,24,28)(H,25,26)
InChIKeySNNDEDXDYMLOKD-UHFFFAOYSA-N
XLogP2.47
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-fluoro-6-methylsulfonylquinoline-3-carboxamide
CID 11269607
4-(3,4-dihydro-2H-chromen-5-ylamino)-6-methyl-8-methylsulfonylquinoline-3-carboxamide
CID 69254548
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-methylsulfonylquinoline-3-carboxamide
CID 11269083
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-[3-(dimethylcarbamoyl)phenyl]sulfonyl-6-methylquinoline-3-carboxamide
CID 69251791
3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide
CID 69451303
2-[3-carbamoyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinolin-6-yl]sulfonylethyl formate
CID 90973936
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide
CID 11397019
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide
CID 11848338
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-propan-2-yl-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
CID 11848586
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-fluoro-6-methylsulfonylquinoline-3-carboxamide;8-ethyl-6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
CID 162070729
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
CID 11848461
4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-8-(4-methoxyphenyl)sulfonyl-6-methylquinoline-3-carboxamide
CID 69251240

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide (CID 69119203) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide is NC(=O)c1cnc2c(S(=O)(=O)NC3CCOCC3)cccc2c1Nc1cccc2c1CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide?
The InChIKey is SNNDEDXDYMLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c24-23(28)17-13-25-22-16(21(17)26-18-4-2-5-19-15(18)9-12-32-19)3-1-6-20(22)33(29,30)27-14-7-10-31-11-8-14/h1-6,13-14,27H,7-12H2,(H2,24,28)(H,25,26).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide is sourced from PubChem (CID 69119203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).