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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide

C118H113Cl2N19O16 — CID 159951679

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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide (PubChem CID 159951679) has the molecular formula C118H113Cl2N19O16 and a molecular weight of 2124.22 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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide
• PubChem CID: 159951679
• Molecular Formula: C118H113Cl2N19O16
• Molecular Weight: 2124.22 g/mol
• Exact Mass: 2121.80
• 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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide
• SMILES: C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)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/C25H24ClN3O3.C25H25N3O3.C24H24N4O4.C22H19ClN4O3.C22H21N5O3/c1-15-6-13-22(24(31)27-15)29-16(2)28-21-5-3-4-18(23(21)25(29)32)9-12-20(30)14-17-7-10-19(26)11-8-17;1-16-11-14-22(24(30)26-16)28-17(2)27-21-10-6-9-19(23(21)25(28)31)12-13-20(29)15-18-7-4-3-5-8-18;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/h3-5,7-8,10-11,22H,1,6,9,12-14H2,2H3,(H,27,31);3-10,22H,1,11-15H2,2H3,(H,26,30);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: OCESNGQUQBIWOU-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 463.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.22
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide (CID 159951679) 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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide is C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide?

The InChIKey is OCESNGQUQBIWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3.C25H25N3O3.C24H24N4O4.C22H19ClN4O3.C22H21N5O3/c1-15-6-13-22(24(31)27-15)29-16(2)28-21-5-3-4-18(23(21)25(29)32)9-12-20(30)14-17-7-10-19(26)11-8-17;1-16-11-14-22(24(30)26-16)28-17(2)27-21-10-6-9-19(23(21)25(28)31)12-13-20(29)15-18-7-4-3-5-8-18;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/h3-5,7-8,10-11,22H,1,6,9,12-14H2,2H3,(H,27,31);3-10,22H,1,11-15H2,2H3,(H,26,30);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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide has a molecular weight of 2124.22 g/mol, XLogP of 15.88, 25 rotatable bonds, 8 hydrogen bond donors, and 27 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-(6-methylidene-2-oxopiperidin-3-yl)quinazolin-4-one;2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-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]-2-phenylmethoxyacetamide is sourced from PubChem (CID 159951679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).