8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide

C24H26N4O5S — CID 69252977

IUPAC8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)C4CCN(C(C)=O)CC4)cccc23)c1
InChIInChI=1S/C24H26N4O5S/c1-15(29)28-11-9-18(10-12-28)34(31,32)21-8-4-7-19-22(20(24(25)30)14-26-23(19)21)27-16-5-3-6-17(13-16)33-2/h3-8,13-14,18H,9-12H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeySHOFBMOJCYSPNR-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.87
Rot. Bonds6

About 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide

8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 69252977) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
PubChem CID69252977
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)C4CCN(C(C)=O)CC4)cccc23)c1
InChIInChI=1S/C24H26N4O5S/c1-15(29)28-11-9-18(10-12-28)34(31,32)21-8-4-7-19-22(20(24(25)30)14-26-23(19)21)27-16-5-3-6-17(13-16)33-2/h3-8,13-14,18H,9-12H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeySHOFBMOJCYSPNR-UHFFFAOYSA-N
XLogP2.87
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69119423
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3-methoxyanilino)-8-methyl-6-[3-(piperazine-1-carbonyl)phenyl]sulfonylquinoline-3-carboxamide
CID 66988311
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
4-(3-methoxyanilino)-8-methyl-6-piperidin-4-ylsulfonylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 162320050
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
methyl 2-[1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate
CID 24731892
6-(2-acetamidoethylsulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11363067
6-[3-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]piperidine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 66988582
4-(3-methoxyanilino)-8-methyl-6-[3-(methylcarbamoyl)phenyl]sulfonylquinoline-3-carboxamide
CID 91970465
1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139904934
4-(3-methoxyanilino)-8-methyl-6-[3-[4-(6-oxohexyl)piperazine-1-carbonyl]phenyl]sulfonylquinoline-3-carboxamide
CID 86659096

Frequently Asked Questions

What is the IUPAC name of 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide (CID 69252977) is 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)C4CCN(C(C)=O)CC4)cccc23)c1.
What is the InChIKey of 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is SHOFBMOJCYSPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-15(29)28-11-9-18(10-12-28)34(31,32)21-8-4-7-19-22(20(24(25)30)14-26-23(19)21)27-16-5-3-6-17(13-16)33-2/h3-8,13-14,18H,9-12H2,1-2H3,(H2,25,30)(H,26,27).
What are the key properties of 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 69252977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).