7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one

C111H94Br2ClFIN11O7 — CID 158234255

About 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one

7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one (PubChem CID 158234255) has the molecular formula C111H94Br2ClFIN11O7 and a molecular weight of 2035.21 g/mol. Its IUPAC name is 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

• Compound Name: 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
• PubChem CID: 158234255
• Molecular Formula: C111H94Br2ClFIN11O7
• Molecular Weight: 2035.21 g/mol
• Exact Mass: 2031.44
• IUPAC Name: 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
• SMILES: Cc1cc(C2=Nc3ccc(Br)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(Cl)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(F)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(I)cc3CC(=O)C2)ccn1.Cc1cc2c(cc1Br)CC(=O)CC(c1cccc(-c3cccnc3)c1)=N2.Cc1cc2c(cc1C)NC(c1cccc(OCc3ccccc3)c1)CC(=O)C2
• InChI: InChI=1S/C25H25NO2.C22H17BrN2O.C16H13BrN2O.C16H13ClN2O.C16H13FN2O.C16H13IN2O/c1-17-11-21-13-22(27)15-25(26-24(21)12-18(17)2)20-9-6-10-23(14-20)28-16-19-7-4-3-5-8-19;1-14-8-21-18(11-20(14)23)10-19(26)12-22(25-21)16-5-2-4-15(9-16)17-6-3-7-24-13-17;4*1-10-6-11(4-5-18-10)16-9-14(20)8-12-7-13(17)2-3-15(12)19-16/h3-12,14,25-26H,13,15-16H2,1-2H3;2-9,11,13H,10,12H2,1H3;4*2-7H,8-9H2,1H3
• InChIKey: GETNTLWDBJNLPF-UHFFFAOYSA-N
• XLogP: 25.27
• TPSA: 249.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.21
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?

The IUPAC name of 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one (CID 158234255) is 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one.

What is the SMILES notation for 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?

The canonical SMILES for 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one is Cc1cc(C2=Nc3ccc(Br)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(Cl)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(F)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(I)cc3CC(=O)C2)ccn1.Cc1cc2c(cc1Br)CC(=O)CC(c1cccc(-c3cccnc3)c1)=N2.Cc1cc2c(cc1C)NC(c1cccc(OCc3ccccc3)c1)CC(=O)C2.

What is the InChIKey of 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?

The InChIKey is GETNTLWDBJNLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2.C22H17BrN2O.C16H13BrN2O.C16H13ClN2O.C16H13FN2O.C16H13IN2O/c1-17-11-21-13-22(27)15-25(26-24(21)12-18(17)2)20-9-6-10-23(14-20)28-16-19-7-4-3-5-8-19;1-14-8-21-18(11-20(14)23)10-19(26)12-22(25-21)16-5-2-4-15(9-16)17-6-3-7-24-13-17;4*1-10-6-11(4-5-18-10)16-9-14(20)8-12-7-13(17)2-3-15(12)19-16/h3-12,14,25-26H,13,15-16H2,1-2H3;2-9,11,13H,10,12H2,1H3;4*2-7H,8-9H2,1H3.

What are the key properties of 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?

7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 2035.21 g/mol, XLogP of 25.27, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-bromo-8-methyl-2-(3-pyridin-3-ylphenyl)-3,5-dihydro-1-benzazepin-4-one;7-chloro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7,8-dimethyl-2-(3-phenylmethoxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;7-fluoro-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-iodo-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 158234255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).