4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C30H32N4O7S — CID 2159002

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2159002) has the molecular formula C30H32N4O7S and a molecular weight of 592.67 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 2159002
• Molecular Formula: C30H32N4O7S
• Molecular Weight: 592.67 g/mol
• Exact Mass: 592.20
• IUPAC Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc(OCC)c1OCC
• InChI: InChI=1S/C30H32N4O7S/c1-4-38-25-18-22(19-26(39-5-2)27(25)40-6-3)29-32-33-30(41-29)31-28(35)21-13-15-23(16-14-21)42(36,37)34-17-9-11-20-10-7-8-12-24(20)34/h7-8,10,12-16,18-19H,4-6,9,11,17H2,1-3H3,(H,31,33,35)
• InChIKey: UWFOUVORPCJZHW-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 133.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.67
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2159002) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc(OCC)c1OCC.

What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is UWFOUVORPCJZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O7S/c1-4-38-25-18-22(19-26(39-5-2)27(25)40-6-3)29-32-33-30(41-29)31-28(35)21-13-15-23(16-14-21)42(36,37)34-17-9-11-20-10-7-8-12-24(20)34/h7-8,10,12-16,18-19H,4-6,9,11,17H2,1-3H3,(H,31,33,35).

What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 592.67 g/mol, XLogP of 5.33, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2159002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).