3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate

C120H136N18O30 — CID 157205531

About 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate

3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate (PubChem CID 157205531) has the molecular formula C120H136N18O30 and a molecular weight of 2310.50 g/mol. Its IUPAC name is 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate
• PubChem CID: 157205531
• Molecular Formula: C120H136N18O30
• Molecular Weight: 2310.50 g/mol
• Exact Mass: 2308.97
• IUPAC Name: 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate
• SMILES: C=CCOC(=O)N1CCCC(OC)[C@H]1CC(=O)Cn1cnc2cc3c(cc2c1=O)OCO3.C=CCOC(=O)N1CCCC(OCC)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O.COC1CCCN[C@@H]1CC(=O)Cn1cnc2c3c(ccc2c1=O)OCO3.COC1CCCN[C@@H]1CC(=O)Cn1cnc2cc3c(cc2c1=O)OCO3.O=C(C[C@H]1CCCCN1C(=O)c1ccccc1)Cn1cnc2ccccc2c1=O.O=C(C[C@H]1NCCCC1O)Cn1cnc2cc3c(cc2c1=O)OCO3
• InChI: InChI=1S/C23H23N3O3.C22H25N3O7.C22H27N3O5.2C18H21N3O5.C17H19N3O5/c27-19(15-25-16-24-21-12-5-4-11-20(21)23(25)29)14-18-10-6-7-13-26(18)22(28)17-8-2-1-3-9-17;1-3-7-30-22(28)25-6-4-5-18(29-2)17(25)8-14(26)11-24-12-23-16-10-20-19(31-13-32-20)9-15(16)21(24)27;1-3-12-30-22(28)25-11-7-10-20(29-4-2)19(25)13-16(26)14-24-15-23-18-9-6-5-8-17(18)21(24)27;1-24-14-3-2-6-19-13(14)7-11(22)8-21-9-20-16-12(18(21)23)4-5-15-17(16)26-10-25-15;1-24-15-3-2-4-19-14(15)5-11(22)8-21-9-20-13-7-17-16(25-10-26-17)6-12(13)18(21)23;21-10(4-13-14(22)2-1-3-18-13)7-20-8-19-12-6-16-15(24-9-25-16)5-11(12)17(20)23/h1-5,8-9,11-12,16,18H,6-7,10,13-15H2;3,9-10,12,17-18H,1,4-8,11,13H2,2H3;3,5-6,8-9,15,19-20H,1,4,7,10-14H2,2H3;4-5,9,13-14,19H,2-3,6-8,10H2,1H3;6-7,9,14-15,19H,2-5,8,10H2,1H3;5-6,8,13-14,18,22H,1-4,7,9H2/t18-;17-,18?;19-,20?;13-,14?;14-,15?;13-,14?/m111111/s1
• InChIKey: ARHSOTHWGBZDEK-RQDMYQPGSA-N
• XLogP: 9.38
• TPSA: 558.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.50
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate?

The IUPAC name of 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate (CID 157205531) is 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate.

What is the SMILES notation for 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate?

The canonical SMILES for 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate is C=CCOC(=O)N1CCCC(OC)[C@H]1CC(=O)Cn1cnc2cc3c(cc2c1=O)OCO3.C=CCOC(=O)N1CCCC(OCC)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O.COC1CCCN[C@@H]1CC(=O)Cn1cnc2c3c(ccc2c1=O)OCO3.COC1CCCN[C@@H]1CC(=O)Cn1cnc2cc3c(cc2c1=O)OCO3.O=C(C[C@H]1CCCCN1C(=O)c1ccccc1)Cn1cnc2ccccc2c1=O.O=C(C[C@H]1NCCCC1O)Cn1cnc2cc3c(cc2c1=O)OCO3.

What is the InChIKey of 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate?

The InChIKey is ARHSOTHWGBZDEK-RQDMYQPGSA-N. The full InChI is InChI=1S/C23H23N3O3.C22H25N3O7.C22H27N3O5.2C18H21N3O5.C17H19N3O5/c27-19(15-25-16-24-21-12-5-4-11-20(21)23(25)29)14-18-10-6-7-13-26(18)22(28)17-8-2-1-3-9-17;1-3-7-30-22(28)25-6-4-5-18(29-2)17(25)8-14(26)11-24-12-23-16-10-20-19(31-13-32-20)9-15(16)21(24)27;1-3-12-30-22(28)25-11-7-10-20(29-4-2)19(25)13-16(26)14-24-15-23-18-9-6-5-8-17(18)21(24)27;1-24-14-3-2-6-19-13(14)7-11(22)8-21-9-20-16-12(18(21)23)4-5-15-17(16)26-10-25-15;1-24-15-3-2-4-19-14(15)5-11(22)8-21-9-20-13-7-17-16(25-10-26-17)6-12(13)18(21)23;21-10(4-13-14(22)2-1-3-18-13)7-20-8-19-12-6-16-15(24-9-25-16)5-11(12)17(20)23/h1-5,8-9,11-12,16,18H,6-7,10,13-15H2;3,9-10,12,17-18H,1,4-8,11,13H2,2H3;3,5-6,8-9,15,19-20H,1,4,7,10-14H2,2H3;4-5,9,13-14,19H,2-3,6-8,10H2,1H3;6-7,9,14-15,19H,2-5,8,10H2,1H3;5-6,8,13-14,18,22H,1-4,7,9H2/t18-;17-,18?;19-,20?;13-,14?;14-,15?;13-,14?/m111111/s1.

What are the key properties of 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate?

3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate has a molecular weight of 2310.50 g/mol, XLogP of 9.38, 34 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2R)-1-benzoylpiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-[3-[(2R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one;7-[3-[(2R)-3-methoxypiperidin-2-yl]-2-oxopropyl]-[1,3]dioxolo[4,5-h]quinazolin-6-one;prop-2-enyl (2R)-3-ethoxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate;prop-2-enyl (2R)-3-methoxy-2-[2-oxo-3-(8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 157205531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).