3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide

C38H41N9O3S — CID 58710292

About 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide

3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide (PubChem CID 58710292) has the molecular formula C38H41N9O3S and a molecular weight of 703.87 g/mol. Its IUPAC name is 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide
• PubChem CID: 58710292
• Molecular Formula: C38H41N9O3S
• Molecular Weight: 703.87 g/mol
• Exact Mass: 703.31
• IUPAC Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide
• SMILES: Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)NCCc6nn[nH]n6)cc5n4CC(=O)N4CCOCC4)ccc3n2)s1
• InChI: InChI=1S/C38H41N9O3S/c1-23-37(51-24(2)40-23)31-13-9-26-20-27(10-12-30(26)41-31)36-35(25-6-4-3-5-7-25)29-11-8-28(38(49)39-15-14-33-42-44-45-43-33)21-32(29)47(36)22-34(48)46-16-18-50-19-17-46/h8-13,20-21,25H,3-7,14-19,22H2,1-2H3,(H,39,49)(H,42,43,44,45)
• InChIKey: BALYRKKYDQDJJT-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 143.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.87
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide?

The IUPAC name of 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide (CID 58710292) is 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide.

What is the SMILES notation for 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide?

The canonical SMILES for 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide is Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)NCCc6nn[nH]n6)cc5n4CC(=O)N4CCOCC4)ccc3n2)s1.

What is the InChIKey of 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide?

The InChIKey is BALYRKKYDQDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N9O3S/c1-23-37(51-24(2)40-23)31-13-9-26-20-27(10-12-30(26)41-31)36-35(25-6-4-3-5-7-25)29-11-8-28(38(49)39-15-14-33-42-44-45-43-33)21-32(29)47(36)22-34(48)46-16-18-50-19-17-46/h8-13,20-21,25H,3-7,14-19,22H2,1-2H3,(H,39,49)(H,42,43,44,45).

What are the key properties of 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide?

3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide has a molecular weight of 703.87 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide is sourced from PubChem (CID 58710292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).