4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine

C20H23ClN2OS — CID 131953892

IUPAC4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine
SMILESClc1ccc2c(c1)N(CCCCN1CCOCC1)c1ccccc1S2
InChIInChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2
InChIKeyNYTLEHCHADNPCL-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.06
Rot. Bonds5

About 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine

4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine (PubChem CID 131953892) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine
PubChem CID131953892
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine
SMILESClc1ccc2c(c1)N(CCCCN1CCOCC1)c1ccccc1S2
InChIInChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2
InChIKeyNYTLEHCHADNPCL-UHFFFAOYSA-N
XLogP5.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine?
The IUPAC name of 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine (CID 131953892) is 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine.
What is the SMILES notation for 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine?
The canonical SMILES for 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine is Clc1ccc2c(c1)N(CCCCN1CCOCC1)c1ccccc1S2.
What is the InChIKey of 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine?
The InChIKey is NYTLEHCHADNPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine?
4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine has a molecular weight of 374.94 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenothiazin-10-yl)butyl]morpholine is sourced from PubChem (CID 131953892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).