2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate

C34H34Cl2N2O8 — CID 167210497

About 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate

2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate (PubChem CID 167210497) has the molecular formula C34H34Cl2N2O8 and a molecular weight of 669.56 g/mol. Its IUPAC name is 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 167210497
• Molecular Formula: C34H34Cl2N2O8
• Molecular Weight: 669.56 g/mol
• Exact Mass: 668.17
• IUPAC Name: 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCC(C=O)CC1(CCC(=O)OCCOC(=O)C(=C)C)c2ccccc2-c2nc3cc(Cl)c(Cl)cc3nc21
• InChI: InChI=1S/C34H34Cl2N2O8/c1-20(2)32(41)45-12-11-43-19-22(18-39)17-34(10-9-29(40)44-13-14-46-33(42)21(3)4)24-8-6-5-7-23(24)30-31(34)38-28-16-26(36)25(35)15-27(28)37-30/h5-8,15-16,18,22H,1,3,9-14,17,19H2,2,4H3
• InChIKey: UGPSHEVQOQNCKH-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 130.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.56
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate (CID 167210497) is 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC(C=O)CC1(CCC(=O)OCCOC(=O)C(=C)C)c2ccccc2-c2nc3cc(Cl)c(Cl)cc3nc21.

What is the InChIKey of 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is UGPSHEVQOQNCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Cl2N2O8/c1-20(2)32(41)45-12-11-43-19-22(18-39)17-34(10-9-29(40)44-13-14-46-33(42)21(3)4)24-8-6-5-7-23(24)30-31(34)38-28-16-26(36)25(35)15-27(28)37-30/h5-8,15-16,18,22H,1,3,9-14,17,19H2,2,4H3.

What are the key properties of 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate?

2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 669.56 g/mol, XLogP of 5.99, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 167210497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).