7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine

C62H64N8O10 — CID 159524388

About 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine

7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine (PubChem CID 159524388) has the molecular formula C62H64N8O10 and a molecular weight of 1081.24 g/mol. Its IUPAC name is 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine.

Molecular Properties

• Compound Name: 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine
• PubChem CID: 159524388
• Molecular Formula: C62H64N8O10
• Molecular Weight: 1081.24 g/mol
• Exact Mass: 1080.47
• IUPAC Name: 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine
• SMILES: C1CCNC1.COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1OC[C@@H](O)CN1CCCC1.COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1OC[C@@H]1CO1
• InChI: InChI=1S/C31H32N4O5.C27H23N3O5.C4H9N/c1-37-27-7-3-4-8-28(27)40-24-11-9-22(10-12-24)34-31-21(17-32)18-33-26-16-30(29(38-2)15-25(26)31)39-20-23(36)19-35-13-5-6-14-35;1-31-23-5-3-4-6-24(23)35-19-9-7-18(8-10-19)30-27-17(13-28)14-29-22-12-26(34-16-20-15-33-20)25(32-2)11-21(22)27;1-2-4-5-3-1/h3-4,7-12,15-16,18,23,36H,5-6,13-14,19-20H2,1-2H3,(H,33,34);3-12,14,20H,15-16H2,1-2H3,(H,29,30);5H,1-4H2/t23-;20-;/m00./s1
• InChIKey: MCEZTPKIIGCXOA-ZWEOUNPOSA-N
• XLogP: 11.30
• TPSA: 219.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.24
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine?

The IUPAC name of 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine (CID 159524388) is 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine.

What is the SMILES notation for 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine?

The canonical SMILES for 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine is C1CCNC1.COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1OC[C@@H](O)CN1CCCC1.COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1OC[C@@H]1CO1.

What is the InChIKey of 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine?

The InChIKey is MCEZTPKIIGCXOA-ZWEOUNPOSA-N. The full InChI is InChI=1S/C31H32N4O5.C27H23N3O5.C4H9N/c1-37-27-7-3-4-8-28(27)40-24-11-9-22(10-12-24)34-31-21(17-32)18-33-26-16-30(29(38-2)15-25(26)31)39-20-23(36)19-35-13-5-6-14-35;1-31-23-5-3-4-6-24(23)35-19-9-7-18(8-10-19)30-27-17(13-28)14-29-22-12-26(34-16-20-15-33-20)25(32-2)11-21(22)27;1-2-4-5-3-1/h3-4,7-12,15-16,18,23,36H,5-6,13-14,19-20H2,1-2H3,(H,33,34);3-12,14,20H,15-16H2,1-2H3,(H,29,30);5H,1-4H2/t23-;20-;/m00./s1.

What are the key properties of 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine?

7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine has a molecular weight of 1081.24 g/mol, XLogP of 11.30, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine is sourced from PubChem (CID 159524388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).