naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile

C18H8N4 — CID 175438792

IUPACnaphtho[2,3-f]quinoxaline-2,3-dicarbonitrile
SMILESN#Cc1nc2ccc3cc4ccccc4cc3c2nc1C#N
InChIInChI=1S/C18H8N4/c19-9-16-17(10-20)22-18-14-8-12-4-2-1-3-11(12)7-13(14)5-6-15(18)21-16/h1-8H
InChIKeyUDRHWZNMWJRMBJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.68
Rot. Bonds

About naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile

naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile (PubChem CID 175438792) has the molecular formula C18H8N4 and a molecular weight of 280.29 g/mol. Its IUPAC name is naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile.

Molecular Properties

Compound Namenaphtho[2,3-f]quinoxaline-2,3-dicarbonitrile
PubChem CID175438792
Molecular FormulaC18H8N4
Molecular Weight280.29 g/mol
Exact Mass280.07
IUPAC Namenaphtho[2,3-f]quinoxaline-2,3-dicarbonitrile
SMILESN#Cc1nc2ccc3cc4ccccc4cc3c2nc1C#N
InChIInChI=1S/C18H8N4/c19-9-16-17(10-20)22-18-14-8-12-4-2-1-3-11(12)7-13(14)5-6-15(18)21-16/h1-8H
InChIKeyUDRHWZNMWJRMBJ-UHFFFAOYSA-N
XLogP3.68
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile
CID 137082941
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
anthracene-1-carbonitrile
CID 3036603
2-fluoroanthracene-1-carbonitrile
CID 88757615
2-methylanthracene-1-carbonitrile
CID 22743920
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
1-phenylanthracene-2-carbonitrile
CID 175261517
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
benzo[a]anthracene;formonitrile
CID 155409375
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
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617

Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile?
The IUPAC name of naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile (CID 175438792) is naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile.
What is the SMILES notation for naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile?
The canonical SMILES for naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile is N#Cc1nc2ccc3cc4ccccc4cc3c2nc1C#N.
What is the InChIKey of naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile?
The InChIKey is UDRHWZNMWJRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N4/c19-9-16-17(10-20)22-18-14-8-12-4-2-1-3-11(12)7-13(14)5-6-15(18)21-16/h1-8H.
What are the key properties of naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile?
naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile has a molecular weight of 280.29 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-f]quinoxaline-2,3-dicarbonitrile is sourced from PubChem (CID 175438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).