7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile

C20H20ClN3S — CID 15925366

IUPAC7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile
SMILESCC(CN1CCCC1)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21
InChIInChI=1S/C20H20ClN3S/c1-14(13-23-8-2-3-9-23)24-17-6-5-16(21)11-20(17)25-19-7-4-15(12-22)10-18(19)24/h4-7,10-11,14H,2-3,8-9,13H2,1H3
InChIKeyYFORPUHMUUCQHD-UHFFFAOYSA-N
MW369.92 g/mol
LogP5.30
Rot. Bonds3

About 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile

7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile (PubChem CID 15925366) has the molecular formula C20H20ClN3S and a molecular weight of 369.92 g/mol. Its IUPAC name is 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile
PubChem CID15925366
Molecular FormulaC20H20ClN3S
Molecular Weight369.92 g/mol
Exact Mass369.11
IUPAC Name7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile
SMILESCC(CN1CCCC1)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21
InChIInChI=1S/C20H20ClN3S/c1-14(13-23-8-2-3-9-23)24-17-6-5-16(21)11-20(17)25-19-7-4-15(12-22)10-18(19)24/h4-7,10-11,14H,2-3,8-9,13H2,1H3
InChIKeyYFORPUHMUUCQHD-UHFFFAOYSA-N
XLogP5.30
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.92
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile?
The IUPAC name of 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile (CID 15925366) is 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile.
What is the SMILES notation for 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile?
The canonical SMILES for 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile is CC(CN1CCCC1)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21.
What is the InChIKey of 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile?
The InChIKey is YFORPUHMUUCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3S/c1-14(13-23-8-2-3-9-23)24-17-6-5-16(21)11-20(17)25-19-7-4-15(12-22)10-18(19)24/h4-7,10-11,14H,2-3,8-9,13H2,1H3.
What are the key properties of 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile?
7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile has a molecular weight of 369.92 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile is sourced from PubChem (CID 15925366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).