5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one

C18H16N2O — CID 86082125

IUPAC5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
SMILESCN1C(=O)Cc2c(n(C)c3ccccc23)-c2ccccc21
InChIInChI=1S/C18H16N2O/c1-19-16-10-6-4-8-13(16)18-14(11-17(19)21)12-7-3-5-9-15(12)20(18)2/h3-10H,11H2,1-2H3
InChIKeyVJKRBCTYMYBMQH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.36
Rot. Bonds

About 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one

5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 86082125) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID86082125
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
SMILESCN1C(=O)Cc2c(n(C)c3ccccc23)-c2ccccc21
InChIInChI=1S/C18H16N2O/c1-19-16-10-6-4-8-13(16)18-14(11-17(19)21)12-7-3-5-9-15(12)20(18)2/h3-10H,11H2,1-2H3
InChIKeyVJKRBCTYMYBMQH-UHFFFAOYSA-N
XLogP3.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one with MolForge

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Related Compounds

tert-butyl 5-methyl-6-oxo-7H-indolo[3,2-d][1]benzazepine-12-carboxylate
CID 57331951
ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole
CID 157267257
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride
CID 157208595
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795
17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
CID 166798198
4-ethyl-1-methyl-3H-indol-2-one
CID 122533875
5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
CID 101441414
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one (CID 86082125) is 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one is CN1C(=O)Cc2c(n(C)c3ccccc23)-c2ccccc21.
What is the InChIKey of 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is VJKRBCTYMYBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-19-16-10-6-4-8-13(16)18-14(11-17(19)21)12-7-3-5-9-15(12)20(18)2/h3-10H,11H2,1-2H3.
What are the key properties of 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one?
5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 276.34 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 86082125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).