N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide

C44H36FN7O10 — CID 167228368

IUPACN-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c(OC)cc34)c(F)c1)c(C)n2C
InChIInChI=1S/C44H36FN7O10/c1-5-22-9-11-30-26(15-22)39(55)37(21(2)51(30)3)41(57)48-23-10-13-32(27(45)16-23)62-42-25-17-33(60-4)34(18-29(25)46-20-47-42)61-19-36(54)49-28-8-6-7-24-38(28)44(59)52(43(24)58)31-12-14-35(53)50-40(31)56/h6-11,13,15-18,20,31H,5,12,14,19H2,1-4H3,(H,48,57)(H,49,54)(H,50,53,56)
InChIKeyZAYMYLLHNOWQSE-UHFFFAOYSA-N
MW841.81 g/mol
LogP4.96
Rot. Bonds11

About N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide

N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide (PubChem CID 167228368) has the molecular formula C44H36FN7O10 and a molecular weight of 841.81 g/mol. Its IUPAC name is N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
PubChem CID167228368
Molecular FormulaC44H36FN7O10
Molecular Weight841.81 g/mol
Exact Mass841.25
IUPAC NameN-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c(OC)cc34)c(F)c1)c(C)n2C
InChIInChI=1S/C44H36FN7O10/c1-5-22-9-11-30-26(15-22)39(55)37(21(2)51(30)3)41(57)48-23-10-13-32(27(45)16-23)62-42-25-17-33(60-4)34(18-29(25)46-20-47-42)61-19-36(54)49-28-8-6-7-24-38(28)44(59)52(43(24)58)31-12-14-35(53)50-40(31)56/h6-11,13,15-18,20,31H,5,12,14,19H2,1-4H3,(H,48,57)(H,49,54)(H,50,53,56)
InChIKeyZAYMYLLHNOWQSE-UHFFFAOYSA-N
XLogP4.96
TPSA217.22 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.81
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide (CID 167228368) is N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide is CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c(OC)cc34)c(F)c1)c(C)n2C.
What is the InChIKey of N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is ZAYMYLLHNOWQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36FN7O10/c1-5-22-9-11-30-26(15-22)39(55)37(21(2)51(30)3)41(57)48-23-10-13-32(27(45)16-23)62-42-25-17-33(60-4)34(18-29(25)46-20-47-42)61-19-36(54)49-28-8-6-7-24-38(28)44(59)52(43(24)58)31-12-14-35(53)50-40(31)56/h6-11,13,15-18,20,31H,5,12,14,19H2,1-4H3,(H,48,57)(H,49,54)(H,50,53,56).
What are the key properties of N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 841.81 g/mol, XLogP of 4.96, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 167228368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).