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

C22H18N2OS — CID 53497693

IUPAC2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone
SMILESO=C(CN1CCc2ccccc21)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H18N2OS/c25-22(15-23-14-13-16-7-1-2-8-17(16)23)24-18-9-3-5-11-20(18)26-21-12-6-4-10-19(21)24/h1-12H,13-15H2
InChIKeyAVYLXNIHGHHDKM-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.88
Rot. Bonds2

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

2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone (PubChem CID 53497693) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone
PubChem CID53497693
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone
SMILESO=C(CN1CCc2ccccc21)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H18N2OS/c25-22(15-23-14-13-16-7-1-2-8-17(16)23)24-18-9-3-5-11-20(18)26-21-12-6-4-10-19(21)24/h1-12H,13-15H2
InChIKeyAVYLXNIHGHHDKM-UHFFFAOYSA-N
XLogP4.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone (CID 53497693) is 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone is O=C(CN1CCc2ccccc21)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone?
The InChIKey is AVYLXNIHGHHDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-22(15-23-14-13-16-7-1-2-8-17(16)23)24-18-9-3-5-11-20(18)26-21-12-6-4-10-19(21)24/h1-12H,13-15H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone?
2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone has a molecular weight of 358.47 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 53497693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).