1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine

C90H117N9O3 — CID 158848156

About 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine

1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 158848156) has the molecular formula C90H117N9O3 and a molecular weight of 1372.99 g/mol. Its IUPAC name is 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

• Compound Name: 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• PubChem CID: 158848156
• Molecular Formula: C90H117N9O3
• Molecular Weight: 1372.99 g/mol
• Exact Mass: 1371.93
• IUPAC Name: 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• SMILES: CN1CCCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCOCc2ccccc21.CN1CCOc2ccccc21.CN1CCOc2ccccc2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2ccccc2CC1.CN1Cc2ccccc2C1
• InChI: InChI=1S/3C11H15N.2C10H13NO.C10H13N.C9H11NO.2C9H11N/c1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-6-10-4-2-3-5-11(10)7-9-12;1-11-6-7-12-8-9-4-2-3-5-10(9)11;1-11-6-7-12-10-5-3-2-4-9(10)8-11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10/h2-3,6,8H,4-5,7,9H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-5H,6-9H2,1H3;2*2-5H,6-8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3
• InChIKey: IZCHRWMBFGIVOT-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 56.85 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1372.99
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

The IUPAC name of 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine (CID 158848156) is 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

What is the SMILES notation for 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

The canonical SMILES for 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine is CN1CCCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCOCc2ccccc21.CN1CCOc2ccccc21.CN1CCOc2ccccc2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2ccccc2CC1.CN1Cc2ccccc2C1.

What is the InChIKey of 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

The InChIKey is IZCHRWMBFGIVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H15N.2C10H13NO.C10H13N.C9H11NO.2C9H11N/c1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-6-10-4-2-3-5-11(10)7-9-12;1-11-6-7-12-8-9-4-2-3-5-10(9)11;1-11-6-7-12-10-5-3-2-4-9(10)8-11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10/h2-3,6,8H,4-5,7,9H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-5H,6-9H2,1H3;2*2-5H,6-8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3.

What are the key properties of 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 1372.99 g/mol, XLogP of 15.91, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 158848156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).