ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate

C25H20Cl3N3O4 — CID 23886051

About ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate

ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate (PubChem CID 23886051) has the molecular formula C25H20Cl3N3O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate.

Molecular Properties

• Compound Name: ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
• PubChem CID: 23886051
• Molecular Formula: C25H20Cl3N3O4
• Molecular Weight: 532.81 g/mol
• Exact Mass: 531.05
• IUPAC Name: ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
• SMILES: CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(Cl)cc12
• InChI: InChI=1S/C25H20Cl3N3O4/c1-2-35-23(33)21-22(29)31(15-9-13(27)8-14(28)10-15)18-4-3-5-19(32)20(18)25(21)16-11-12(26)6-7-17(16)30-24(25)34/h6-11H,2-5,29H2,1H3,(H,30,34)
• InChIKey: OYNRLNARQVDBDK-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.81
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?

The IUPAC name of ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate (CID 23886051) is ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate.

What is the SMILES notation for ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?

The canonical SMILES for ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate is CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(Cl)cc12.

What is the InChIKey of ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?

The InChIKey is OYNRLNARQVDBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O4/c1-2-35-23(33)21-22(29)31(15-9-13(27)8-14(28)10-15)18-4-3-5-19(32)20(18)25(21)16-11-12(26)6-7-17(16)30-24(25)34/h6-11H,2-5,29H2,1H3,(H,30,34).

What are the key properties of ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?

ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate has a molecular weight of 532.81 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate is sourced from PubChem (CID 23886051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).