2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone

C35H36N8O2S — CID 11707210

About 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone

2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 11707210) has the molecular formula C35H36N8O2S and a molecular weight of 632.79 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone
• PubChem CID: 11707210
• Molecular Formula: C35H36N8O2S
• Molecular Weight: 632.79 g/mol
• Exact Mass: 632.27
• IUPAC Name: 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone
• SMILES: Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(-c6nn[nH]n6)cc5n4CC(=O)N4CCOCC4)ccc3n2)s1
• InChI: InChI=1S/C35H36N8O2S/c1-21-34(46-22(2)36-21)29-13-9-24-18-25(10-12-28(24)37-29)33-32(23-6-4-3-5-7-23)27-11-8-26(35-38-40-41-39-35)19-30(27)43(33)20-31(44)42-14-16-45-17-15-42/h8-13,18-19,23H,3-7,14-17,20H2,1-2H3,(H,38,39,40,41)
• InChIKey: NDCPLBOHRDKWKE-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.79
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone (CID 11707210) is 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone is Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(-c6nn[nH]n6)cc5n4CC(=O)N4CCOCC4)ccc3n2)s1.

What is the InChIKey of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone?

The InChIKey is NDCPLBOHRDKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N8O2S/c1-21-34(46-22(2)36-21)29-13-9-24-18-25(10-12-28(24)37-29)33-32(23-6-4-3-5-7-23)27-11-8-26(35-38-40-41-39-35)19-30(27)43(33)20-31(44)42-14-16-45-17-15-42/h8-13,18-19,23H,3-7,14-17,20H2,1-2H3,(H,38,39,40,41).

What are the key properties of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone?

2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 632.79 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 11707210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).