5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C36H36N6O7 — CID 168872212

IUPAC5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCC(N(C)Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2c1
InChIInChI=1S/C36H36N6O7/c1-40(19-20-4-9-25-26(16-20)36(47)42(35(25)46)28-10-11-30(43)38-33(28)44)22-12-14-41(15-13-22)23-7-5-21(6-8-23)32-37-27-17-24(48-2)18-29(49-3)31(27)34(45)39-32/h4-9,16-18,22,28H,10-15,19H2,1-3H3,(H,37,39,45)(H,38,43,44)
InChIKeyMQHWEKVNOMEAGA-UHFFFAOYSA-N
MW664.72 g/mol
LogP3.11
Rot. Bonds8

About 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 168872212) has the molecular formula C36H36N6O7 and a molecular weight of 664.72 g/mol. Its IUPAC name is 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID168872212
Molecular FormulaC36H36N6O7
Molecular Weight664.72 g/mol
Exact Mass664.26
IUPAC Name5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCC(N(C)Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2c1
InChIInChI=1S/C36H36N6O7/c1-40(19-20-4-9-25-26(16-20)36(47)42(35(25)46)28-10-11-30(43)38-33(28)44)22-12-14-41(15-13-22)23-7-5-21(6-8-23)32-37-27-17-24(48-2)18-29(49-3)31(27)34(45)39-32/h4-9,16-18,22,28H,10-15,19H2,1-3H3,(H,37,39,45)(H,38,43,44)
InChIKeyMQHWEKVNOMEAGA-UHFFFAOYSA-N
XLogP3.11
TPSA154.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 168872212) is 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCC(N(C)Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2c1.
What is the InChIKey of 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is MQHWEKVNOMEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O7/c1-40(19-20-4-9-25-26(16-20)36(47)42(35(25)46)28-10-11-30(43)38-33(28)44)22-12-14-41(15-13-22)23-7-5-21(6-8-23)32-37-27-17-24(48-2)18-29(49-3)31(27)34(45)39-32/h4-9,16-18,22,28H,10-15,19H2,1-3H3,(H,37,39,45)(H,38,43,44).
What are the key properties of 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 664.72 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 168872212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).