6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one

C27H33Cl2N3O2 — CID 57479190

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one (PubChem CID 57479190) has the molecular formula C27H33Cl2N3O2 and a molecular weight of 502.49 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one
• PubChem CID: 57479190
• Molecular Formula: C27H33Cl2N3O2
• Molecular Weight: 502.49 g/mol
• Exact Mass: 501.19
• IUPAC Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one
• SMILES: O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N(CCN1CCOCC1)C1CCCCC1
• InChI: InChI=1S/C27H33Cl2N3O2/c28-21-6-4-5-20(17-21)19-27(24-10-9-22(29)18-25(24)30-26(27)33)32(23-7-2-1-3-8-23)12-11-31-13-15-34-16-14-31/h4-6,9-10,17-18,23H,1-3,7-8,11-16,19H2,(H,30,33)
• InChIKey: CESOBVWBBRGZPY-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.49
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one?

The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one (CID 57479190) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one.

What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one?

The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N(CCN1CCOCC1)C1CCCCC1.

What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one?

The InChIKey is CESOBVWBBRGZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N3O2/c28-21-6-4-5-20(17-21)19-27(24-10-9-22(29)18-25(24)30-26(27)33)32(23-7-2-1-3-8-23)12-11-31-13-15-34-16-14-31/h4-6,9-10,17-18,23H,1-3,7-8,11-16,19H2,(H,30,33).

What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one?

6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one has a molecular weight of 502.49 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[cyclohexyl(2-morpholin-4-ylethyl)amino]-1H-indol-2-one is sourced from PubChem (CID 57479190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).