bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane

C47H72Cl2N6O8 — CID 144886723

About bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane

bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane (PubChem CID 144886723) has the molecular formula C47H72Cl2N6O8 and a molecular weight of 920.03 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane.

Molecular Properties

• Compound Name: bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane
• PubChem CID: 144886723
• Molecular Formula: C47H72Cl2N6O8
• Molecular Weight: 920.03 g/mol
• Exact Mass: 918.48
• IUPAC Name: bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane
• SMILES: C=CNCCOCCOCCOCCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1.CC.CCC.OC1C2CCC(C2)C1O
• InChI: InChI=1S/C35H46Cl2N6O6.C7H12O2.C3H8.C2H6/c1-4-39-6-14-46-16-18-48-19-17-47-15-12-43-10-8-42(9-11-43)7-5-13-49-34-22-30-27(20-33(34)45-3)35(26(24-38)25-40-30)41-31-23-32(44-2)29(37)21-28(31)36;8-6-4-1-2-5(3-4)7(6)9;1-3-2;1-2/h4,20-23,25,39H,1,5-19H2,2-3H3,(H,40,41);4-9H,1-3H2;3H2,1-2H3;1-2H3
• InChIKey: VKCZLKDJGMJCAR-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 163.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.03
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane?

The IUPAC name of bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane (CID 144886723) is bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane.

What is the SMILES notation for bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane?

The canonical SMILES for bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane is C=CNCCOCCOCCOCCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1.CC.CCC.OC1C2CCC(C2)C1O.

What is the InChIKey of bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane?

The InChIKey is VKCZLKDJGMJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46Cl2N6O6.C7H12O2.C3H8.C2H6/c1-4-39-6-14-46-16-18-48-19-17-47-15-12-43-10-8-42(9-11-43)7-5-13-49-34-22-30-27(20-33(34)45-3)35(26(24-38)25-40-30)41-31-23-32(44-2)29(37)21-28(31)36;8-6-4-1-2-5(3-4)7(6)9;1-3-2;1-2/h4,20-23,25,39H,1,5-19H2,2-3H3,(H,40,41);4-9H,1-3H2;3H2,1-2H3;1-2H3.

What are the key properties of bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane?

bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane has a molecular weight of 920.03 g/mol, XLogP of 7.92, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[2.2.1]heptane-2,3-diol;4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[2-[2-[2-[2-(ethenylamino)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile;ethane;propane is sourced from PubChem (CID 144886723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).