4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide

C24H21N3O5S — CID 11397103

IUPAC4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)cc1
InChIInChI=1S/C24H21N3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)19-10-11-22-20(13-19)23(21(14-26-22)24(25)28)27-15-4-3-5-17(12-15)32-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
InChIKeyHVBVNVQRXPVBHE-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.93
Rot. Bonds7

About 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide

4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide (PubChem CID 11397103) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide
PubChem CID11397103
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)cc1
InChIInChI=1S/C24H21N3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)19-10-11-22-20(13-19)23(21(14-26-22)24(25)28)27-15-4-3-5-17(12-15)32-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
InChIKeyHVBVNVQRXPVBHE-UHFFFAOYSA-N
XLogP3.93
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 11304132
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CID 11350199
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CID 45485435
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CID 1295005
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CID 10321516
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CID 45485433
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CID 162643804
CID 162643804

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide (CID 11397103) is 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide is COc1ccc(S(=O)(=O)c2ccc3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)cc1.
What is the InChIKey of 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide?
The InChIKey is HVBVNVQRXPVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)19-10-11-22-20(13-19)23(21(14-26-22)24(25)28)27-15-4-3-5-17(12-15)32-2/h3-14H,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide?
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11397103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).