7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane

C27H40N2 — CID 158540199

IUPAC7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane
SMILESC.C1=CC2N=C3C(=NC2C=C1)c1cccc2cccc3c12.CC.CC.CC.CC
InChIInChI=1S/C18H12N2.4C2H6.CH4/c1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15;4*1-2;/h1-10,14-15H;4*1-2H3;1H4
InChIKeyHOKQHENHXDOXOF-UHFFFAOYSA-N
MW392.63 g/mol
LogP8.05
Rot. Bonds

About 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane

7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane (PubChem CID 158540199) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane.

Molecular Properties

Compound Name7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane
PubChem CID158540199
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC Name7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane
SMILESC.C1=CC2N=C3C(=NC2C=C1)c1cccc2cccc3c12.CC.CC.CC.CC
InChIInChI=1S/C18H12N2.4C2H6.CH4/c1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15;4*1-2;/h1-10,14-15H;4*1-2H3;1H4
InChIKeyHOKQHENHXDOXOF-UHFFFAOYSA-N
XLogP8.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[k]fluoranthene;ethane
CID 142369852
ethane;fluoranthene;triphenylene
CID 160720447
fluoranthene
CID 139203734
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
11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 42638865
2-benzofuran-1,3-dione;ethane;3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 167655999
8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
CID 174448180
acenaphthyleno[2,1-b]pyrrol-8-one
CID 67437408
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
benzo[a]phenalen-7-one;ethane
CID 90765972
trimethyl-(10-trimethylsilylfluoranthen-7-yl)silane
CID 10970070
2-methylsulfanylbenzo[cd]indole hydroxide
CID 19914621

Frequently Asked Questions

What is the IUPAC name of 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane?
The IUPAC name of 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane (CID 158540199) is 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane.
What is the SMILES notation for 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane?
The canonical SMILES for 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane is C.C1=CC2N=C3C(=NC2C=C1)c1cccc2cccc3c12.CC.CC.CC.CC.
What is the InChIKey of 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane?
The InChIKey is HOKQHENHXDOXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2.4C2H6.CH4/c1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15;4*1-2;/h1-10,14-15H;4*1-2H3;1H4.
What are the key properties of 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane?
7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane has a molecular weight of 392.63 g/mol, XLogP of 8.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a,11a-dihydroacenaphthyleno[1,2-b]quinoxaline;ethane;methane is sourced from PubChem (CID 158540199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).