acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile

C20H8N4 — CID 627610

IUPACacenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
SMILESN#Cc1cc2nc3c(nc2cc1C#N)-c1cccc2cccc-3c12
InChIInChI=1S/C20H8N4/c21-9-12-7-16-17(8-13(12)10-22)24-20-15-6-2-4-11-3-1-5-14(18(11)15)19(20)23-16/h1-8H
InChIKeyHTDAPNBAKXNXMY-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.17
Rot. Bonds

About acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile

acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile (PubChem CID 627610) has the molecular formula C20H8N4 and a molecular weight of 304.31 g/mol. Its IUPAC name is acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile.

Molecular Properties

Compound Nameacenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
PubChem CID627610
Molecular FormulaC20H8N4
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC Nameacenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
SMILESN#Cc1cc2nc3c(nc2cc1C#N)-c1cccc2cccc-3c12
InChIInChI=1S/C20H8N4/c21-9-12-7-16-17(8-13(12)10-22)24-20-15-6-2-4-11-3-1-5-14(18(11)15)19(20)23-16/h1-8H
InChIKeyHTDAPNBAKXNXMY-UHFFFAOYSA-N
XLogP4.17
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(31),2,4(9),5,7,10,12(32),13,15,17,19(24),20,22,25,27,29-hexadecaene-6,7,21,22-tetracarbonitrile
CID 89057623
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
CID 159278973
2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
CID 156781139
(11E)-11-[cyano(isocyano)methylidene]-1-isocyanoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile
CID 172528070
aceanthrylene-1,2-dione;copper(1+);15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16(21),17,19,22-dodecaene-18,19-dicarbonitrile;4,5-dibromobenzene-1,2-diamine;18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;cyanide
CID 157346770
naphthalene-2,3-dicarbonitrile
CID 601270
4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
CID 1320006
3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
CID 155812910
4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
CID 70854915
2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
CID 1154611

Frequently Asked Questions

What is the IUPAC name of acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile?
The IUPAC name of acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile (CID 627610) is acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile.
What is the SMILES notation for acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile?
The canonical SMILES for acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile is N#Cc1cc2nc3c(nc2cc1C#N)-c1cccc2cccc-3c12.
What is the InChIKey of acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile?
The InChIKey is HTDAPNBAKXNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8N4/c21-9-12-7-16-17(8-13(12)10-22)24-20-15-6-2-4-11-3-1-5-14(18(11)15)19(20)23-16/h1-8H.
What are the key properties of acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile?
acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile has a molecular weight of 304.31 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile is sourced from PubChem (CID 627610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).