3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide

C46H39Cl2F3N8O7 — CID 159851508

About 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide

3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 159851508) has the molecular formula C46H39Cl2F3N8O7 and a molecular weight of 943.77 g/mol. Its IUPAC name is 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 159851508
• Molecular Formula: C46H39Cl2F3N8O7
• Molecular Weight: 943.77 g/mol
• Exact Mass: 942.23
• IUPAC Name: 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
• SMILES: C=C1CCC(n2c(C)nc3ccc(CNC(=O)c4ccc(Cl)c(Cl)c4)cc3c2=O)C(=O)N1.Cc1nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2c(=O)n1C1CCC(=O)NC1=O
• InChI: InChI=1S/C23H20Cl2N4O3.C23H19F3N4O4/c1-12-3-8-20(22(31)27-12)29-13(2)28-19-7-4-14(9-16(19)23(29)32)11-26-21(30)15-5-6-17(24)18(25)10-15;1-12-28-17-7-2-13(11-27-20(32)14-3-5-15(6-4-14)23(24,25)26)10-16(17)22(34)30(12)18-8-9-19(31)29-21(18)33/h4-7,9-10,20H,1,3,8,11H2,2H3,(H,26,30)(H,27,31);2-7,10,18H,8-9,11H2,1H3,(H,27,32)(H,29,31,33)
• InChIKey: NPZOXIJXZGRONE-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 203.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.77
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide (CID 159851508) is 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide is C=C1CCC(n2c(C)nc3ccc(CNC(=O)c4ccc(Cl)c(Cl)c4)cc3c2=O)C(=O)N1.Cc1nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2c(=O)n1C1CCC(=O)NC1=O.

What is the InChIKey of 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide?

The InChIKey is NPZOXIJXZGRONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3.C23H19F3N4O4/c1-12-3-8-20(22(31)27-12)29-13(2)28-19-7-4-14(9-16(19)23(29)32)11-26-21(30)15-5-6-17(24)18(25)10-15;1-12-28-17-7-2-13(11-27-20(32)14-3-5-15(6-4-14)23(24,25)26)10-16(17)22(34)30(12)18-8-9-19(31)29-21(18)33/h4-7,9-10,20H,1,3,8,11H2,2H3,(H,26,30)(H,27,31);2-7,10,18H,8-9,11H2,1H3,(H,27,32)(H,29,31,33).

What are the key properties of 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide?

3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 943.77 g/mol, XLogP of 6.54, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159851508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).