(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine

C20H23ClN4S — CID 45376988

IUPAC(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
SMILESC/C(=N\CN1CCN(C)CC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C20H23ClN4S/c1-15(22-14-24-11-9-23(2)10-12-24)25-17-5-3-4-6-19(17)26-20-8-7-16(21)13-18(20)25/h3-8,13H,9-12,14H2,1-2H3/b22-15+
InChIKeyKPROMOAKIHTDGX-PXLXIMEGSA-N
MW386.95 g/mol
LogP4.57
Rot. Bonds2

About (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine

(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine (PubChem CID 45376988) has the molecular formula C20H23ClN4S and a molecular weight of 386.95 g/mol. Its IUPAC name is (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine.

Molecular Properties

Compound Name(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
PubChem CID45376988
Molecular FormulaC20H23ClN4S
Molecular Weight386.95 g/mol
Exact Mass386.13
IUPAC Name(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
SMILESC/C(=N\CN1CCN(C)CC1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C20H23ClN4S/c1-15(22-14-24-11-9-23(2)10-12-24)25-17-5-3-4-6-19(17)26-20-8-7-16(21)13-18(20)25/h3-8,13H,9-12,14H2,1-2H3/b22-15+
InChIKeyKPROMOAKIHTDGX-PXLXIMEGSA-N
XLogP4.57
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
The IUPAC name of (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine (CID 45376988) is (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine.
What is the SMILES notation for (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
The canonical SMILES for (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine is C/C(=N\CN1CCN(C)CC1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
The InChIKey is KPROMOAKIHTDGX-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H23ClN4S/c1-15(22-14-24-11-9-23(2)10-12-24)25-17-5-3-4-6-19(17)26-20-8-7-16(21)13-18(20)25/h3-8,13H,9-12,14H2,1-2H3/b22-15+.
What are the key properties of (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine has a molecular weight of 386.95 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine is sourced from PubChem (CID 45376988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).