5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one

C27H28ClN3O3 — CID 143921837

About 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one

5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 143921837) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one
• PubChem CID: 143921837
• Molecular Formula: C27H28ClN3O3
• Molecular Weight: 477.99 g/mol
• Exact Mass: 477.18
• IUPAC Name: 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one
• SMILES: CC(c1ccc(-c2cccc(C(=O)N3CCCN(C)CC3)c2)o1)C1C(=O)Nc2ccc(Cl)cc21
• InChI: InChI=1S/C27H28ClN3O3/c1-17(25-21-16-20(28)7-8-22(21)29-26(25)32)23-9-10-24(34-23)18-5-3-6-19(15-18)27(33)31-12-4-11-30(2)13-14-31/h3,5-10,15-17,25H,4,11-14H2,1-2H3,(H,29,32)
• InChIKey: OGCMNSBRVMHSEO-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.99
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one (CID 143921837) is 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one is CC(c1ccc(-c2cccc(C(=O)N3CCCN(C)CC3)c2)o1)C1C(=O)Nc2ccc(Cl)cc21.

What is the InChIKey of 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one?

The InChIKey is OGCMNSBRVMHSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-17(25-21-16-20(28)7-8-22(21)29-26(25)32)23-9-10-24(34-23)18-5-3-6-19(15-18)27(33)31-12-4-11-30(2)13-14-31/h3,5-10,15-17,25H,4,11-14H2,1-2H3,(H,29,32).

What are the key properties of 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one?

5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 477.99 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[1-[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 143921837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).