[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone

C23H28ClN5O2S — CID 110174989

IUPAC[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(CCCN2c3ccccc3Sc3cc(Cl)cnc32)CC1
InChIInChI=1S/C23H28ClN5O2S/c24-18-16-21-22(25-17-18)29(19-4-1-2-5-20(19)32-21)7-3-6-26-8-10-27(11-9-26)23(30)28-12-14-31-15-13-28/h1-2,4-5,16-17H,3,6-15H2
InChIKeyREJKRUQNDVKPCX-UHFFFAOYSA-N
MW474.03 g/mol
LogP3.80
Rot. Bonds4

About [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 110174989) has the molecular formula C23H28ClN5O2S and a molecular weight of 474.03 g/mol. Its IUPAC name is [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID110174989
Molecular FormulaC23H28ClN5O2S
Molecular Weight474.03 g/mol
Exact Mass473.17
IUPAC Name[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(CCCN2c3ccccc3Sc3cc(Cl)cnc32)CC1
InChIInChI=1S/C23H28ClN5O2S/c24-18-16-21-22(25-17-18)29(19-4-1-2-5-20(19)32-21)7-3-6-26-8-10-27(11-9-26)23(30)28-12-14-31-15-13-28/h1-2,4-5,16-17H,3,6-15H2
InChIKeyREJKRUQNDVKPCX-UHFFFAOYSA-N
XLogP3.80
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone 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-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
CID 110175027
[4-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 110175025
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
CID 171358116
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
2-methoxyethyl 4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxylate
CID 130177451
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxylate
CID 130177397
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxylic acid
CID 23622737
3-[4-[3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]propanenitrile
CID 110174626

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 110174989) is [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(CCCN2c3ccccc3Sc3cc(Cl)cnc32)CC1.
What is the InChIKey of [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is REJKRUQNDVKPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2S/c24-18-16-21-22(25-17-18)29(19-4-1-2-5-20(19)32-21)7-3-6-26-8-10-27(11-9-26)23(30)28-12-14-31-15-13-28/h1-2,4-5,16-17H,3,6-15H2.
What are the key properties of [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 474.03 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).