6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile

C14H6N4O — CID 137082941

IUPAC6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile
SMILESN#Cc1nc2cc(O)c3ccccc3c2nc1C#N
InChIInChI=1S/C14H6N4O/c15-6-11-12(7-16)18-14-9-4-2-1-3-8(9)13(19)5-10(14)17-11/h1-5,19H
InChIKeyRBICAAUAHPQUHS-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.23
Rot. Bonds

About 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile

6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile (PubChem CID 137082941) has the molecular formula C14H6N4O and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile
PubChem CID137082941
Molecular FormulaC14H6N4O
Molecular Weight246.23 g/mol
Exact Mass246.05
IUPAC Name6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile
SMILESN#Cc1nc2cc(O)c3ccccc3c2nc1C#N
InChIInChI=1S/C14H6N4O/c15-6-11-12(7-16)18-14-9-4-2-1-3-8(9)13(19)5-10(14)17-11/h1-5,19H
InChIKeyRBICAAUAHPQUHS-UHFFFAOYSA-N
XLogP2.23
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile
CID 175438792
pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile
CID 624748
10,13,16-triazahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-1(18),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene-14,15-dicarbonitrile
CID 139436403
3,6-diazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,23,25-tridecaene-4,5,10,11-tetracarbonitrile
CID 139436239
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
8-hydroxyphenanthrene-3-carbonitrile
CID 141318774
4-hydroxy-7-phenylsulfanylisoquinoline-1-carbonitrile
CID 141275216
2-methylfuro[2,3-c]quinoline-4-carbonitrile
CID 13466197
methyl 3-(2,3-dicyano-6-hydroxybenzo[f]quinoxalin-5-yl)-3-phenylpropanoate
CID 137207578
3,6-diazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene-4,5-dicarbonitrile;3,6,9,12-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene-4,5-dicarbonitrile;3,6,9-triazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene-4,5-dicarbonitrile;3,6,12-triazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,23,25-tridecaene-4,5-dicarbonitrile
CID 160505007
3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile
CID 83129970
2-(2-methylpropyl)benzo[e]benzotriazol-5-ol
CID 145163399

Frequently Asked Questions

What is the IUPAC name of 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile?
The IUPAC name of 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile (CID 137082941) is 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile.
What is the SMILES notation for 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile?
The canonical SMILES for 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile is N#Cc1nc2cc(O)c3ccccc3c2nc1C#N.
What is the InChIKey of 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile?
The InChIKey is RBICAAUAHPQUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N4O/c15-6-11-12(7-16)18-14-9-4-2-1-3-8(9)13(19)5-10(14)17-11/h1-5,19H.
What are the key properties of 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile?
6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile has a molecular weight of 246.23 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile is sourced from PubChem (CID 137082941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).