1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one

C137H134N16O14 — CID 157095379

About 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one

1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 157095379) has the molecular formula C137H134N16O14 and a molecular weight of 2228.68 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

• Compound Name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one
• PubChem CID: 157095379
• Molecular Formula: C137H134N16O14
• Molecular Weight: 2228.68 g/mol
• Exact Mass: 2227.03
• IUPAC Name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one
• SMILES: CC(=O)N1CCCc2ccccc21.CC(=O)Nc1ccccc1.CN1C(=O)CCc2ccccc21.O=C(Nc1ccccc1)c1ccccc1.O=C1CCCc2ccccc2N1.O=C1CCc2cccc3c2N1CC3.O=C1CCc2ccccc2N1.O=C1CCc2ccccc2N1Cc1ccccc1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2NC1=O.O=C1NCc2ccccc2N1.O=c1[nH]c2ccccc2[nH]1.c1ccc2c(c1)CCCO2.c1ccc2nccnc2c1
• InChI: InChI=1S/C16H15NO.C13H11NO.C11H11NO.C11H13NO.2C10H11NO.C9H7NO2.C9H9NO.C9H10O.C8H8N2O.C8H6N2.C8H7NO.C8H9NO.C7H6N2O/c18-16-11-10-14-8-4-5-9-15(14)17(16)12-13-6-2-1-3-7-13;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9;1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-11-9-5-3-2-4-8(9)6-7-10(11)12;12-10-7-3-5-8-4-1-2-6-9(8)11-10;11-8-5-6-3-1-2-4-7(6)10-9(8)12;11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-6-9-8(4-1)5-3-7-10-9;11-8-9-5-6-3-1-2-4-7(6)10-8;1-2-4-8-7(3-1)9-5-6-10-8;10-8-5-6-3-1-2-4-7(6)9-8;1-7(10)9-8-5-3-2-4-6-8;10-7-8-5-3-1-2-4-6(5)9-7/h1-9H,10-12H2;1-10H,(H,14,15);1-3H,4-7H2;2-3,5,7H,4,6,8H2,1H3;2-5H,6-7H2,1H3;1-2,4,6H,3,5,7H2,(H,11,12);1-4H,5H2,(H,10,12);1-4H,5-6H2,(H,10,11);1-2,4,6H,3,5,7H2;1-4H,5H2,(H2,9,10,11);1-6H;1-4H,5H2,(H,9,10);2-6H,1H3,(H,9,10);1-4H,(H2,8,9,10)
• InChIKey: AFDNUAQUKVSFBK-UHFFFAOYSA-N
• XLogP: 24.14
• TPSA: 397.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.68
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one?

The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 157095379) is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one.

What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one?

The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one is CC(=O)N1CCCc2ccccc21.CC(=O)Nc1ccccc1.CN1C(=O)CCc2ccccc21.O=C(Nc1ccccc1)c1ccccc1.O=C1CCCc2ccccc2N1.O=C1CCc2cccc3c2N1CC3.O=C1CCc2ccccc2N1.O=C1CCc2ccccc2N1Cc1ccccc1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2NC1=O.O=C1NCc2ccccc2N1.O=c1[nH]c2ccccc2[nH]1.c1ccc2c(c1)CCCO2.c1ccc2nccnc2c1.

What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one?

The InChIKey is AFDNUAQUKVSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.C13H11NO.C11H11NO.C11H13NO.2C10H11NO.C9H7NO2.C9H9NO.C9H10O.C8H8N2O.C8H6N2.C8H7NO.C8H9NO.C7H6N2O/c18-16-11-10-14-8-4-5-9-15(14)17(16)12-13-6-2-1-3-7-13;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9;1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-11-9-5-3-2-4-8(9)6-7-10(11)12;12-10-7-3-5-8-4-1-2-6-9(8)11-10;11-8-5-6-3-1-2-4-7(6)10-9(8)12;11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-6-9-8(4-1)5-3-7-10-9;11-8-9-5-6-3-1-2-4-7(6)10-8;1-2-4-8-7(3-1)9-5-6-10-8;10-8-5-6-3-1-2-4-7(6)9-8;1-7(10)9-8-5-3-2-4-6-8;10-7-8-5-3-1-2-4-6(5)9-7/h1-9H,10-12H2;1-10H,(H,14,15);1-3H,4-7H2;2-3,5,7H,4,6,8H2,1H3;2-5H,6-7H2,1H3;1-2,4,6H,3,5,7H2,(H,11,12);1-4H,5H2,(H,10,12);1-4H,5-6H2,(H,10,11);1-2,4,6H,3,5,7H2;1-4H,5H2,(H2,9,10,11);1-6H;1-4H,5H2,(H,9,10);2-6H,1H3,(H,9,10);1-4H,(H2,8,9,10).

What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one?

1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 2228.68 g/mol, XLogP of 24.14, 5 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;1-benzyl-3,4-dihydroquinolin-2-one;1,3-dihydrobenzimidazol-2-one;3,4-dihydro-2H-chromene;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinazolin-2-one;1,4-dihydroquinoline-2,3-dione;3,4-dihydro-1H-quinolin-2-one;1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-methyl-3,4-dihydroquinolin-2-one;N-phenylacetamide;N-phenylbenzamide;quinoxaline;1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 157095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).