(2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium

C22H18N4O2+2 — CID 91108143

IUPAC(2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium
SMILESOc1ccccc1C=[N+]=c1cc2[nH]cc[nH]c-2cc1=[N+]=Cc1ccccc1O
InChIInChI=1S/C22H16N4O2/c27-21-7-3-1-5-15(21)13-25-19-11-17-18(24-10-9-23-17)12-20(19)26-14-16-6-2-4-8-22(16)28/h1-14H,(H2,23,24,25,26,27,28)/p+2
InChIKeyVBDAPXLULOCXOV-UHFFFAOYSA-P
MW370.41 g/mol
LogP1.03
Rot. Bonds2

About (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium

(2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium (PubChem CID 91108143) has the molecular formula C22H18N4O2+2 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium
PubChem CID91108143
Molecular FormulaC22H18N4O2+2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name(2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium
SMILESOc1ccccc1C=[N+]=c1cc2[nH]cc[nH]c-2cc1=[N+]=Cc1ccccc1O
InChIInChI=1S/C22H16N4O2/c27-21-7-3-1-5-15(21)13-25-19-11-17-18(24-10-9-23-17)12-20(19)26-14-16-6-2-4-8-22(16)28/h1-14H,(H2,23,24,25,26,27,28)/p+2
InChIKeyVBDAPXLULOCXOV-UHFFFAOYSA-P
XLogP1.03
TPSA100.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium?
The IUPAC name of (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium (CID 91108143) is (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium.
What is the SMILES notation for (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium?
The canonical SMILES for (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium is Oc1ccccc1C=[N+]=c1cc2[nH]cc[nH]c-2cc1=[N+]=Cc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium?
The InChIKey is VBDAPXLULOCXOV-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H16N4O2/c27-21-7-3-1-5-15(21)13-25-19-11-17-18(24-10-9-23-17)12-20(19)26-14-16-6-2-4-8-22(16)28/h1-14H,(H2,23,24,25,26,27,28)/p+2.
What are the key properties of (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium?
(2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium has a molecular weight of 370.41 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methylidene-[7-[(2-hydroxyphenyl)methylideneazaniumylidene]-1,4-dihydroquinoxalin-6-ylidene]azanium is sourced from PubChem (CID 91108143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).