6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

C24H21N3O4S — CID 11293791

IUPAC6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C24H21N3O4S/c1-15-11-19(32(29,30)18-9-4-3-5-10-18)13-20-22(15)26-14-21(24(25)28)23(20)27-16-7-6-8-17(12-16)31-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
InChIKeySOIXCSDNRHWOEM-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.23
Rot. Bonds6

About 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide (PubChem CID 11293791) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
PubChem CID11293791
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C24H21N3O4S/c1-15-11-19(32(29,30)18-9-4-3-5-10-18)13-20-22(15)26-14-21(24(25)28)23(20)27-16-7-6-8-17(12-16)31-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
InChIKeySOIXCSDNRHWOEM-UHFFFAOYSA-N
XLogP4.23
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide (CID 11293791) is 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4ccccc4)cc23)c1.
What is the InChIKey of 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide?
The InChIKey is SOIXCSDNRHWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-15-11-19(32(29,30)18-9-4-3-5-10-18)13-20-22(15)26-14-21(24(25)28)23(20)27-16-7-6-8-17(12-16)31-2/h3-14H,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide?
6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide is sourced from PubChem (CID 11293791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).