7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione

C15H16N2O4 — CID 25180269

IUPAC7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
SMILESCOc1cc2c3c(n(C)c2cc1OC)C(=O)NCCC3=O
InChIInChI=1S/C15H16N2O4/c1-17-9-7-12(21-3)11(20-2)6-8(9)13-10(18)4-5-16-15(19)14(13)17/h6-7H,4-5H2,1-3H3,(H,16,19)
InChIKeyVPAYVRQKKOUANU-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.51
Rot. Bonds2

About 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione

7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione (PubChem CID 25180269) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione.

Molecular Properties

Compound Name7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
PubChem CID25180269
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
SMILESCOc1cc2c3c(n(C)c2cc1OC)C(=O)NCCC3=O
InChIInChI=1S/C15H16N2O4/c1-17-9-7-12(21-3)11(20-2)6-8(9)13-10(18)4-5-16-15(19)14(13)17/h6-7H,4-5H2,1-3H3,(H,16,19)
InChIKeyVPAYVRQKKOUANU-UHFFFAOYSA-N
XLogP1.51
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
The IUPAC name of 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione (CID 25180269) is 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione.
What is the SMILES notation for 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
The canonical SMILES for 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione is COc1cc2c3c(n(C)c2cc1OC)C(=O)NCCC3=O.
What is the InChIKey of 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
The InChIKey is VPAYVRQKKOUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17-9-7-12(21-3)11(20-2)6-8(9)13-10(18)4-5-16-15(19)14(13)17/h6-7H,4-5H2,1-3H3,(H,16,19).
What are the key properties of 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione has a molecular weight of 288.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione is sourced from PubChem (CID 25180269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).