N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide

C37H38N4O3 — CID 141146477

About N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide

N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide (PubChem CID 141146477) has the molecular formula C37H38N4O3 and a molecular weight of 586.74 g/mol. Its IUPAC name is N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide
• PubChem CID: 141146477
• Molecular Formula: C37H38N4O3
• Molecular Weight: 586.74 g/mol
• Exact Mass: 586.29
• IUPAC Name: N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)cc1
• InChI: InChI=1S/C37H38N4O3/c1-25(42)38-30-15-11-26(12-16-30)32-17-13-28-23-29(14-18-33(28)39-32)37-36(27-7-3-2-4-8-27)31-9-5-6-10-34(31)41(37)24-35(43)40-19-21-44-22-20-40/h5-6,9-18,23,27H,2-4,7-8,19-22,24H2,1H3,(H,38,42)
• InChIKey: MKSIJVOPWXSCPP-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.74
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide?

The IUPAC name of N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide (CID 141146477) is N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)cc1.

What is the InChIKey of N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide?

The InChIKey is MKSIJVOPWXSCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N4O3/c1-25(42)38-30-15-11-26(12-16-30)32-17-13-28-23-29(14-18-33(28)39-32)37-36(27-7-3-2-4-8-27)31-9-5-6-10-34(31)41(37)24-35(43)40-19-21-44-22-20-40/h5-6,9-18,23,27H,2-4,7-8,19-22,24H2,1H3,(H,38,42).

What are the key properties of N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide?

N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide has a molecular weight of 586.74 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-2-yl]quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 141146477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).