7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

C17H11F3N2O — CID 122223786

IUPAC7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2-c2[nH]c3ccccc3c2C1C(F)(F)F
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-13-9-5-1-3-7-11(9)21-15(13)10-6-2-4-8-12(10)22-16(14)23/h1-8,14,21H,(H,22,23)
InChIKeyRNZCYZGRGKJIQL-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.43
Rot. Bonds

About 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 122223786) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID122223786
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2-c2[nH]c3ccccc3c2C1C(F)(F)F
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-13-9-5-1-3-7-11(9)21-15(13)10-6-2-4-8-12(10)22-16(14)23/h1-8,14,21H,(H,22,23)
InChIKeyRNZCYZGRGKJIQL-UHFFFAOYSA-N
XLogP4.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,13,18-triazahexacyclo[14.6.1.02,10.04,9.011,15.019,23]tricosa-1(23),2(10),4,6,8,16,19,21-octaene-12,14-dione
CID 75051806
14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
CID 150471805
5H-indeno[1,2-b]indol-10-one
CID 2785776
10-methoxy-5,10-dihydroindeno[1,2-b]indole
CID 15133177
5,10-dihydroindeno[1,2-b]indol-10-ol
CID 71552409
3-(9H-carbazol-3-yl)-1,3-dihydroindol-2-one
CID 132934190
(11R,15S)-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,17,19,21-octaene-12,14-dione
CID 100972317
7H-benzo[c]carbazole-5,6-dione
CID 11207363
N-tert-butyl-5-oxo-7,12-dihydro-6H-indolo[3,2-d][2]benzazepine-7-carboxamide
CID 25146342
2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
CID 171337557
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 122223786) is 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is O=C1Nc2ccccc2-c2[nH]c3ccccc3c2C1C(F)(F)F.
What is the InChIKey of 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is RNZCYZGRGKJIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)14-13-9-5-1-3-7-11(9)21-15(13)10-6-2-4-8-12(10)22-16(14)23/h1-8,14,21H,(H,22,23).
What are the key properties of 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 316.28 g/mol, XLogP of 4.43, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 122223786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).