10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride

C20H22ClN3S — CID 19020543

IUPAC10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride
SMILESCC(CN1CCCC1)N1c2ccccc2Sc2ccc(C#N)cc21.Cl
InChIInChI=1S/C20H21N3S.ClH/c1-15(14-22-10-4-5-11-22)23-17-6-2-3-7-19(17)24-20-9-8-16(13-21)12-18(20)23;/h2-3,6-9,12,15H,4-5,10-11,14H2,1H3;1H
InChIKeyFYXOPOOPRIUZSF-UHFFFAOYSA-N
MW371.94 g/mol
LogP5.07
Rot. Bonds3

About 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride

10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride (PubChem CID 19020543) has the molecular formula C20H22ClN3S and a molecular weight of 371.94 g/mol. Its IUPAC name is 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride
PubChem CID19020543
Molecular FormulaC20H22ClN3S
Molecular Weight371.94 g/mol
Exact Mass371.12
IUPAC Name10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride
SMILESCC(CN1CCCC1)N1c2ccccc2Sc2ccc(C#N)cc21.Cl
InChIInChI=1S/C20H21N3S.ClH/c1-15(14-22-10-4-5-11-22)23-17-6-2-3-7-19(17)24-20-9-8-16(13-21)12-18(20)23;/h2-3,6-9,12,15H,4-5,10-11,14H2,1H3;1H
InChIKeyFYXOPOOPRIUZSF-UHFFFAOYSA-N
XLogP5.07
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.94
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride?
The IUPAC name of 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride (CID 19020543) is 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride?
The canonical SMILES for 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride is CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C#N)cc21.Cl.
What is the InChIKey of 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride?
The InChIKey is FYXOPOOPRIUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S.ClH/c1-15(14-22-10-4-5-11-22)23-17-6-2-3-7-19(17)24-20-9-8-16(13-21)12-18(20)23;/h2-3,6-9,12,15H,4-5,10-11,14H2,1H3;1H.
What are the key properties of 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride?
10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride has a molecular weight of 371.94 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 19020543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).