6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide

C33H29N3O4S — CID 67634107

About 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide

6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 67634107) has the molecular formula C33H29N3O4S and a molecular weight of 563.68 g/mol. Its IUPAC name is 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

• Compound Name: 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide
• PubChem CID: 67634107
• Molecular Formula: C33H29N3O4S
• Molecular Weight: 563.68 g/mol
• Exact Mass: 563.19
• IUPAC Name: 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide
• SMILES: CC1(C(=O)c2ccc3ccn(Cc4cccc(OCc5ccc6ccccc6n5)c4)c3c2)C=CC=CC1S(N)(=O)=O
• InChI: InChI=1S/C33H29N3O4S/c1-33(17-5-4-11-31(33)41(34,38)39)32(37)26-13-12-25-16-18-36(30(25)20-26)21-23-7-6-9-28(19-23)40-22-27-15-14-24-8-2-3-10-29(24)35-27/h2-20,31H,21-22H2,1H3,(H2,34,38,39)
• InChIKey: LKCKGJRMBDVXJK-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 104.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.68
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide?

The IUPAC name of 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide (CID 67634107) is 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide.

What is the SMILES notation for 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide?

The canonical SMILES for 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide is CC1(C(=O)c2ccc3ccn(Cc4cccc(OCc5ccc6ccccc6n5)c4)c3c2)C=CC=CC1S(N)(=O)=O.

What is the InChIKey of 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide?

The InChIKey is LKCKGJRMBDVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O4S/c1-33(17-5-4-11-31(33)41(34,38)39)32(37)26-13-12-25-16-18-36(30(25)20-26)21-23-7-6-9-28(19-23)40-22-27-15-14-24-8-2-3-10-29(24)35-27/h2-20,31H,21-22H2,1H3,(H2,34,38,39).

What are the key properties of 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide?

6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 563.68 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-6-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]indole-6-carbonyl]cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 67634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).