2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

C20H24ClN3S — CID 4917

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IUPAC2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyWIKYUJGCLQQFNW-UHFFFAOYSA-N
MW373.95 g/mol
LogP4.58
Rot. Bonds4

About 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine (PubChem CID 4917) has the molecular formula C20H24ClN3S and a molecular weight of 373.95 g/mol. Its IUPAC name is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine.

Molecular Properties

Compound Name2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
PubChem CID4917
Molecular FormulaC20H24ClN3S
Molecular Weight373.95 g/mol
Exact Mass373.14
IUPAC Name2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyWIKYUJGCLQQFNW-UHFFFAOYSA-N
XLogP4.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Chlorpromazine
CID 2726
Perphenazine
CID 4748
Promethazine
CID 4927
Promazine
CID 4926
Promethazine Hydrochloride
CID 6014
Chlorpromazine Hydrochloride
CID 6240
Perazine
CID 4744
(+-)-Ethopropazine
CID 3290
Promazine Hydrochloride
CID 5887
Prochlorperazine Edisylate
CID 91499
Prochlorperazine Maleate
CID 5281032
Ethopropazine Hydrochloride
CID 122824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The IUPAC name of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine (CID 4917) is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine.
What is the SMILES notation for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The canonical SMILES for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine is CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The InChIKey is WIKYUJGCLQQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3.
What are the key properties of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine has a molecular weight of 373.95 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine is sourced from PubChem (CID 4917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).