4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine

C88H120N8O2 — CID 158844441

About 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine

4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 158844441) has the molecular formula C88H120N8O2 and a molecular weight of 1321.98 g/mol. Its IUPAC name is 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

• Compound Name: 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
• PubChem CID: 158844441
• Molecular Formula: C88H120N8O2
• Molecular Weight: 1321.98 g/mol
• Exact Mass: 1320.95
• IUPAC Name: 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
• SMILES: Cc1ccc2c(c1)CCCN2C.Cc1ccc2c(c1)CCN(C)C2.Cc1ccc2c(c1)CCN(C)CC2.Cc1ccc2c(c1)CN(C)C2.Cc1ccc2c(c1)CN(C)CC2.Cc1ccc2c(c1)CN(C)CCO2.Cc1ccc2c(c1)N(C)CCC2.Cc1ccc2c(c1)OCCN(C)C2
• InChI: InChI=1S/C12H17N.2C11H15NO.4C11H15N.C10H13N/c1-10-3-4-11-5-7-13(2)8-6-12(11)9-10;1-9-3-4-11-10(7-9)8-12(2)5-6-13-11;1-9-3-4-10-8-12(2)5-6-13-11(10)7-9;1-9-3-4-11-8-12(2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(2)8-11(10)7-9;1-9-5-6-11-10(8-9)4-3-7-12(11)2;1-9-5-6-10-4-3-7-12(2)11(10)8-9;1-8-3-4-9-6-11(2)7-10(9)5-8/h3-4,9H,5-8H2,1-2H3;2*3-4,7H,5-6,8H2,1-2H3;2*3-4,7H,5-6,8H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;3-5H,6-7H2,1-2H3
• InChIKey: IYQJEWCHUKCYAC-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 44.38 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1321.98
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?

The IUPAC name of 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine (CID 158844441) is 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.

What is the SMILES notation for 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?

The canonical SMILES for 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine is Cc1ccc2c(c1)CCCN2C.Cc1ccc2c(c1)CCN(C)C2.Cc1ccc2c(c1)CCN(C)CC2.Cc1ccc2c(c1)CN(C)C2.Cc1ccc2c(c1)CN(C)CC2.Cc1ccc2c(c1)CN(C)CCO2.Cc1ccc2c(c1)N(C)CCC2.Cc1ccc2c(c1)OCCN(C)C2.

What is the InChIKey of 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?

The InChIKey is IYQJEWCHUKCYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C11H15NO.4C11H15N.C10H13N/c1-10-3-4-11-5-7-13(2)8-6-12(11)9-10;1-9-3-4-11-10(7-9)8-12(2)5-6-13-11;1-9-3-4-10-8-12(2)5-6-13-11(10)7-9;1-9-3-4-11-8-12(2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(2)8-11(10)7-9;1-9-5-6-11-10(8-9)4-3-7-12(11)2;1-9-5-6-10-4-3-7-12(2)11(10)8-9;1-8-3-4-9-6-11(2)7-10(9)5-8/h3-4,9H,5-8H2,1-2H3;2*3-4,7H,5-6,8H2,1-2H3;2*3-4,7H,5-6,8H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;3-5H,6-7H2,1-2H3.

What are the key properties of 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?

4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 1321.98 g/mol, XLogP of 16.32, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;4,8-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;2,5-dimethyl-1,3-dihydroisoindole;2,6-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;1,6-dimethyl-3,4-dihydro-2H-quinoline;1,7-dimethyl-3,4-dihydro-2H-quinoline;3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 158844441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).