8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol

C21H15N3OS — CID 136818868

IUPAC8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol
SMILESOc1ccc(CN2c3ccccc3Sc3ccccc32)c2nccnc12
InChIInChI=1S/C21H15N3OS/c25-17-10-9-14(20-21(17)23-12-11-22-20)13-24-15-5-1-3-7-18(15)26-19-8-4-2-6-16(19)24/h1-12,25H,13H2
InChIKeyNYFZGEDIIPDZIL-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.14
Rot. Bonds2

About 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol

8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol (PubChem CID 136818868) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol.

Molecular Properties

Compound Name8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol
PubChem CID136818868
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol
SMILESOc1ccc(CN2c3ccccc3Sc3ccccc32)c2nccnc12
InChIInChI=1S/C21H15N3OS/c25-17-10-9-14(20-21(17)23-12-11-22-20)13-24-15-5-1-3-7-18(15)26-19-8-4-2-6-16(19)24/h1-12,25H,13H2
InChIKeyNYFZGEDIIPDZIL-UHFFFAOYSA-N
XLogP5.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol?
The IUPAC name of 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol (CID 136818868) is 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol.
What is the SMILES notation for 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol?
The canonical SMILES for 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol is Oc1ccc(CN2c3ccccc3Sc3ccccc32)c2nccnc12.
What is the InChIKey of 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol?
The InChIKey is NYFZGEDIIPDZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-17-10-9-14(20-21(17)23-12-11-22-20)13-24-15-5-1-3-7-18(15)26-19-8-4-2-6-16(19)24/h1-12,25H,13H2.
What are the key properties of 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol?
8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol has a molecular weight of 357.44 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(phenothiazin-10-ylmethyl)quinoxalin-5-ol is sourced from PubChem (CID 136818868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).