2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone

C21H16N2OS — CID 880577

IUPAC2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone
SMILESO=C(N1CCc2ccccc21)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H16N2OS/c24-21(22-14-13-15-7-1-2-8-16(15)22)23-17-9-3-5-11-19(17)25-20-12-6-4-10-18(20)23/h1-12H,13-14H2
InChIKeyIDVXMZKKTISBCO-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.47
Rot. Bonds

About 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone

2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone (PubChem CID 880577) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone
PubChem CID880577
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone
SMILESO=C(N1CCc2ccccc21)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H16N2OS/c24-21(22-14-13-15-7-1-2-8-16(15)22)23-17-9-3-5-11-19(17)25-20-12-6-4-10-18(20)23/h1-12H,13-14H2
InChIKeyIDVXMZKKTISBCO-UHFFFAOYSA-N
XLogP5.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone 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

phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone
CID 6974509
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
CID 7368449
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone (CID 880577) is 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone is O=C(N1CCc2ccccc21)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone?
The InChIKey is IDVXMZKKTISBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21(22-14-13-15-7-1-2-8-16(15)22)23-17-9-3-5-11-19(17)25-20-12-6-4-10-18(20)23/h1-12H,13-14H2.
What are the key properties of 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone?
2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone has a molecular weight of 344.44 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone is sourced from PubChem (CID 880577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).