[3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone

C24H21N3OS — CID 71517866

IUPAC[3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone
SMILESCN(C)Cc1cn(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc12
InChIInChI=1S/C24H21N3OS/c1-25(2)15-17-16-26(19-10-4-3-9-18(17)19)24(28)27-20-11-5-7-13-22(20)29-23-14-8-6-12-21(23)27/h3-14,16H,15H2,1-2H3
InChIKeyJVRQGZJKQIDWRO-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.97
Rot. Bonds2

About [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone

[3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone (PubChem CID 71517866) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone
PubChem CID71517866
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name[3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone
SMILESCN(C)Cc1cn(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc12
InChIInChI=1S/C24H21N3OS/c1-25(2)15-17-16-26(19-10-4-3-9-18(17)19)24(28)27-20-11-5-7-13-22(20)29-23-14-8-6-12-21(23)27/h3-14,16H,15H2,1-2H3
InChIKeyJVRQGZJKQIDWRO-UHFFFAOYSA-N
XLogP5.97
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone?
The IUPAC name of [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone (CID 71517866) is [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone?
The canonical SMILES for [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone is CN(C)Cc1cn(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc12.
What is the InChIKey of [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone?
The InChIKey is JVRQGZJKQIDWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-25(2)15-17-16-26(19-10-4-3-9-18(17)19)24(28)27-20-11-5-7-13-22(20)29-23-14-8-6-12-21(23)27/h3-14,16H,15H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone?
[3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone has a molecular weight of 399.52 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone is sourced from PubChem (CID 71517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).