7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane

C18H30N4 — CID 142133968

IUPAC7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane
SMILESCC.CC.CC.Nc1nc2cc3c(cc2nc1N)=CCCC=3
InChIInChI=1S/C12H12N4.3C2H6/c13-11-12(14)16-10-6-8-4-2-1-3-7(8)5-9(10)15-11;3*1-2/h3-6H,1-2H2,(H2,13,15)(H2,14,16);3*1-2H3
InChIKeyMSQRZFPNCOYTAQ-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.23
Rot. Bonds

About 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane

7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane (PubChem CID 142133968) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane.

Molecular Properties

Compound Name7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane
PubChem CID142133968
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane
SMILESCC.CC.CC.Nc1nc2cc3c(cc2nc1N)=CCCC=3
InChIInChI=1S/C12H12N4.3C2H6/c13-11-12(14)16-10-6-8-4-2-1-3-7(8)5-9(10)15-11;3*1-2/h3-6H,1-2H2,(H2,13,15)(H2,14,16);3*1-2H3
InChIKeyMSQRZFPNCOYTAQ-UHFFFAOYSA-N
XLogP3.23
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide
CID 67130283
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881
3-Methyl-6,7-dihydroquinolin-2-amine
CID 155030641
7,8-Dihydrobenzo[g]quinoxaline-2,3-diamine
CID 142133969

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane?
The IUPAC name of 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane (CID 142133968) is 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane.
What is the SMILES notation for 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane?
The canonical SMILES for 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane is CC.CC.CC.Nc1nc2cc3c(cc2nc1N)=CCCC=3.
What is the InChIKey of 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane?
The InChIKey is MSQRZFPNCOYTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4.3C2H6/c13-11-12(14)16-10-6-8-4-2-1-3-7(8)5-9(10)15-11;3*1-2/h3-6H,1-2H2,(H2,13,15)(H2,14,16);3*1-2H3.
What are the key properties of 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane?
7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane has a molecular weight of 302.47 g/mol, XLogP of 3.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[g]quinoxaline-2,3-diamine;ethane is sourced from PubChem (CID 142133968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).