1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone

C26H24N2O2S — CID 1213293

IUPAC1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone
SMILESCC1=CC(C)(C)Nc2ccc(OCC(=O)N3c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C26H24N2O2S/c1-17-15-26(2,3)27-20-13-12-18(14-19(17)20)30-16-25(29)28-21-8-4-6-10-23(21)31-24-11-7-5-9-22(24)28/h4-15,27H,16H2,1-3H3
InChIKeyARCYMJUTUSEOAN-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.50
Rot. Bonds3

About 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone

1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone (PubChem CID 1213293) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone.

Molecular Properties

Compound Name1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone
PubChem CID1213293
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone
SMILESCC1=CC(C)(C)Nc2ccc(OCC(=O)N3c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C26H24N2O2S/c1-17-15-26(2,3)27-20-13-12-18(14-19(17)20)30-16-25(29)28-21-8-4-6-10-23(21)31-24-11-7-5-9-22(24)28/h4-15,27H,16H2,1-3H3
InChIKeyARCYMJUTUSEOAN-UHFFFAOYSA-N
XLogP6.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone?
The IUPAC name of 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone (CID 1213293) is 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone.
What is the SMILES notation for 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone?
The canonical SMILES for 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone is CC1=CC(C)(C)Nc2ccc(OCC(=O)N3c4ccccc4Sc4ccccc43)cc21.
What is the InChIKey of 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone?
The InChIKey is ARCYMJUTUSEOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-17-15-26(2,3)27-20-13-12-18(14-19(17)20)30-16-25(29)28-21-8-4-6-10-23(21)31-24-11-7-5-9-22(24)28/h4-15,27H,16H2,1-3H3.
What are the key properties of 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone?
1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone has a molecular weight of 428.56 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone is sourced from PubChem (CID 1213293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).