1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride

C18H18Cl2N2OS — CID 24746790

IUPAC1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2OS.ClH/c19-13-7-8-17-15(11-13)21(14-5-1-2-6-16(14)23-17)18(22)12-20-9-3-4-10-20;/h1-2,5-8,11H,3-4,9-10,12H2;1H
InChIKeyAHCLLJNEVMMZKA-UHFFFAOYSA-N
MW381.33 g/mol
LogP4.99
Rot. Bonds2

About 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride

1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride (PubChem CID 24746790) has the molecular formula C18H18Cl2N2OS and a molecular weight of 381.33 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
PubChem CID24746790
Molecular FormulaC18H18Cl2N2OS
Molecular Weight381.33 g/mol
Exact Mass380.05
IUPAC Name1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2OS.ClH/c19-13-7-8-17-15(11-13)21(14-5-1-2-6-16(14)23-17)18(22)12-20-9-3-4-10-20;/h1-2,5-8,11H,3-4,9-10,12H2;1H
InChIKeyAHCLLJNEVMMZKA-UHFFFAOYSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride (CID 24746790) is 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride is Cl.O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The InChIKey is AHCLLJNEVMMZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS.ClH/c19-13-7-8-17-15(11-13)21(14-5-1-2-6-16(14)23-17)18(22)12-20-9-3-4-10-20;/h1-2,5-8,11H,3-4,9-10,12H2;1H.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride has a molecular weight of 381.33 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-2-pyrrolidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 24746790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).