4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide

C18H17N3O4S — CID 11280182

IUPAC4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeySEAXCOHUTXPNQE-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.49
Rot. Bonds5

About 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide

4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11280182) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11280182
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeySEAXCOHUTXPNQE-UHFFFAOYSA-N
XLogP2.49
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide (CID 11280182) is 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is SEAXCOHUTXPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11280182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).