6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide

C27H21N3O5S — CID 45485439

IUPAC6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccc(-c5ccoc5)cc4)cc23)c1
InChIInChI=1S/C27H21N3O5S/c1-34-20-4-2-3-19(13-20)30-26-23-14-22(9-10-25(23)29-15-24(26)27(28)31)36(32,33)21-7-5-17(6-8-21)18-11-12-35-16-18/h2-16H,1H3,(H2,28,31)(H,29,30)
InChIKeyXGDCETVOXKPROH-UHFFFAOYSA-N
MW499.55 g/mol
LogP5.18
Rot. Bonds7

About 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide

6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 45485439) has the molecular formula C27H21N3O5S and a molecular weight of 499.55 g/mol. Its IUPAC name is 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
PubChem CID45485439
Molecular FormulaC27H21N3O5S
Molecular Weight499.55 g/mol
Exact Mass499.12
IUPAC Name6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccc(-c5ccoc5)cc4)cc23)c1
InChIInChI=1S/C27H21N3O5S/c1-34-20-4-2-3-19(13-20)30-26-23-14-22(9-10-25(23)29-15-24(26)27(28)31)36(32,33)21-7-5-17(6-8-21)18-11-12-35-16-18/h2-16H,1H3,(H2,28,31)(H,29,30)
InChIKeyXGDCETVOXKPROH-UHFFFAOYSA-N
XLogP5.18
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide (CID 45485439) is 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccc(-c5ccoc5)cc4)cc23)c1.
What is the InChIKey of 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is XGDCETVOXKPROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O5S/c1-34-20-4-2-3-19(13-20)30-26-23-14-22(9-10-25(23)29-15-24(26)27(28)31)36(32,33)21-7-5-17(6-8-21)18-11-12-35-16-18/h2-16H,1H3,(H2,28,31)(H,29,30).
What are the key properties of 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide?
6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-3-yl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 45485439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).