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

C14H14N2O2 — CID 170858085

IUPAC7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
SMILESCc1ccc2c(c1)c1c(n2C)C(=O)NCCC1=O
InChIInChI=1S/C14H14N2O2/c1-8-3-4-10-9(7-8)12-11(17)5-6-15-14(18)13(12)16(10)2/h3-4,7H,5-6H2,1-2H3,(H,15,18)
InChIKeyJQQNKZQILBHSAR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.80
Rot. Bonds

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

7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione (PubChem CID 170858085) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione.

Molecular Properties

Compound Name7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
PubChem CID170858085
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
SMILESCc1ccc2c(c1)c1c(n2C)C(=O)NCCC1=O
InChIInChI=1S/C14H14N2O2/c1-8-3-4-10-9(7-8)12-11(17)5-6-15-14(18)13(12)16(10)2/h3-4,7H,5-6H2,1-2H3,(H,15,18)
InChIKeyJQQNKZQILBHSAR-UHFFFAOYSA-N
XLogP1.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethoxy-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
CID 25180269
6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
CID 115027881
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
6-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 22890891
7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424071
3,6,6,12-tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one
CID 138971863
6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole
CID 23380082
7,10-dimethyl-4,5-dihydro-1H-pyrazolo[5,4-a]carbazole
CID 1207791
1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262568
1-[[4-(4-methylphenyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
CID 46946014
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
1-(3-hydroxy-1,5-dimethylindol-2-yl)ethanone
CID 12511328

Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
The IUPAC name of 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione (CID 170858085) is 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione.
What is the SMILES notation for 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
The canonical SMILES for 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione is Cc1ccc2c(c1)c1c(n2C)C(=O)NCCC1=O.
What is the InChIKey of 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
The InChIKey is JQQNKZQILBHSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-3-4-10-9(7-8)12-11(17)5-6-15-14(18)13(12)16(10)2/h3-4,7H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione?
7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione has a molecular weight of 242.28 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione is sourced from PubChem (CID 170858085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).