3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide

C145H138Cl2F3N21O20 — CID 158200111

About 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide

3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide (PubChem CID 158200111) has the molecular formula C145H138Cl2F3N21O20 and a molecular weight of 2622.73 g/mol. Its IUPAC name is 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide
• PubChem CID: 158200111
• Molecular Formula: C145H138Cl2F3N21O20
• Molecular Weight: 2622.73 g/mol
• Exact Mass: 2619.98
• IUPAC Name: 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide
• SMILES: C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)c4ccccn4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(NC(=O)COCc4ccccc4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(NC(=O)c4cccc(Cl)c4)c3c2=O)C(=O)N1
• InChI: InChI=1S/C26H25ClN2O3.C26H26N2O3.C25H23F3N4O4.C24H24N4O4.C22H19ClN4O3.C22H21N5O3/c1-16-6-13-23(24(31)14-16)29-17(2)28-22-5-3-4-19(25(22)26(29)32)9-12-21(30)15-18-7-10-20(27)11-8-18;1-17-11-14-23(24(30)15-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)12-13-21(29)16-19-7-4-3-5-8-19;1-14-6-11-20(23(34)30-14)32-15(2)31-19-5-3-4-17(22(19)24(32)35)13-29-21(33)12-16-7-9-18(10-8-16)36-25(26,27)28;1-15-11-12-20(23(30)25-15)28-16(2)26-18-9-6-10-19(22(18)24(28)31)27-21(29)14-32-13-17-7-4-3-5-8-17;1-12-9-10-18(21(29)24-12)27-13(2)25-16-7-4-8-17(19(16)22(27)30)26-20(28)14-5-3-6-15(23)11-14;1-13-9-10-18(21(29)25-13)27-14(2)26-16-8-5-6-15(19(16)22(27)30)12-24-20(28)17-7-3-4-11-23-17/h3-5,7-8,10-11,23H,1,6,9,12-15H2,2H3;3-10,23H,1,11-16H2,2H3;3-5,7-10,20H,1,6,11-13H2,2H3,(H,29,33)(H,30,34);3-10,20H,1,11-14H2,2H3,(H,25,30)(H,27,29);3-8,11,18H,1,9-10H2,2H3,(H,24,29)(H,26,28);3-8,11,18H,1,9-10,12H2,2H3,(H,24,28)(H,25,29)
• InChIKey: GAVDOQJLWGIFHX-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 541.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.73
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide?

The IUPAC name of 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide (CID 158200111) is 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide.

What is the SMILES notation for 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide?

The canonical SMILES for 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide is C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)c4ccccn4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(NC(=O)COCc4ccccc4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(NC(=O)c4cccc(Cl)c4)c3c2=O)C(=O)N1.

What is the InChIKey of 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide?

The InChIKey is GAVDOQJLWGIFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3.C26H26N2O3.C25H23F3N4O4.C24H24N4O4.C22H19ClN4O3.C22H21N5O3/c1-16-6-13-23(24(31)14-16)29-17(2)28-22-5-3-4-19(25(22)26(29)32)9-12-21(30)15-18-7-10-20(27)11-8-18;1-17-11-14-23(24(30)15-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)12-13-21(29)16-19-7-4-3-5-8-19;1-14-6-11-20(23(34)30-14)32-15(2)31-19-5-3-4-17(22(19)24(32)35)13-29-21(33)12-16-7-9-18(10-8-16)36-25(26,27)28;1-15-11-12-20(23(30)25-15)28-16(2)26-18-9-6-10-19(22(18)24(28)31)27-21(29)14-32-13-17-7-4-3-5-8-17;1-12-9-10-18(21(29)24-12)27-13(2)25-16-7-4-8-17(19(16)22(27)30)26-20(28)14-5-3-6-15(23)11-14;1-13-9-10-18(21(29)25-13)27-14(2)26-16-8-5-6-15(19(16)22(27)30)12-24-20(28)17-7-3-4-11-23-17/h3-5,7-8,10-11,23H,1,6,9,12-15H2,2H3;3-10,23H,1,11-16H2,2H3;3-5,7-10,20H,1,6,11-13H2,2H3,(H,29,33)(H,30,34);3-10,20H,1,11-14H2,2H3,(H,25,30)(H,27,29);3-8,11,18H,1,9-10H2,2H3,(H,24,29)(H,26,28);3-8,11,18H,1,9-10,12H2,2H3,(H,24,28)(H,25,29).

What are the key properties of 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide?

3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide has a molecular weight of 2622.73 g/mol, XLogP of 21.08, 31 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]pyridine-2-carboxamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 158200111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).