1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C56H60FN9O7 — CID 172509922

About 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 172509922) has the molecular formula C56H60FN9O7 and a molecular weight of 990.15 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 172509922
• Molecular Formula: C56H60FN9O7
• Molecular Weight: 990.15 g/mol
• Exact Mass: 989.46
• IUPAC Name: 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
• SMILES: C=C1CCC(N2C(=O)c3ccc(N4CCN(C5CCN(CC6CCN(c7cc8nccc(Oc9ccc(NC(=O)C%10(C(=O)Nc%11ccc(F)cc%11)CC%10)cc9)c8cc7OC)CC6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C56H60FN9O7/c1-35-3-14-47(51(67)59-35)66-52(68)43-13-10-41(31-44(43)53(66)69)64-29-27-63(28-30-64)40-18-23-62(24-19-40)34-36-16-25-65(26-17-36)48-33-46-45(32-50(48)72-2)49(15-22-58-46)73-42-11-8-39(9-12-42)61-55(71)56(20-21-56)54(70)60-38-6-4-37(57)5-7-38/h4-13,15,22,31-33,36,40,47H,1,3,14,16-21,23-30,34H2,2H3,(H,59,67)(H,60,70)(H,61,71)
• InChIKey: ZTGLGCKIQSYNGM-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 168.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.15
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 172509922) is 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is C=C1CCC(N2C(=O)c3ccc(N4CCN(C5CCN(CC6CCN(c7cc8nccc(Oc9ccc(NC(=O)C%10(C(=O)Nc%11ccc(F)cc%11)CC%10)cc9)c8cc7OC)CC6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is ZTGLGCKIQSYNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60FN9O7/c1-35-3-14-47(51(67)59-35)66-52(68)43-13-10-41(31-44(43)53(66)69)64-29-27-63(28-30-64)40-18-23-62(24-19-40)34-36-16-25-65(26-17-36)48-33-46-45(32-50(48)72-2)49(15-22-58-46)73-42-11-8-39(9-12-42)61-55(71)56(20-21-56)54(70)60-38-6-4-37(57)5-7-38/h4-13,15,22,31-33,36,40,47H,1,3,14,16-21,23-30,34H2,2H3,(H,59,67)(H,60,70)(H,61,71).

What are the key properties of 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?

1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 990.15 g/mol, XLogP of 7.42, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-[4-[[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 172509922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).