2-butyl-6,7-dihydroquinoxaline

C12H16N2 — CID 88996616

IUPAC2-butyl-6,7-dihydroquinoxaline
SMILESCCCCc1cnc2c(n1)=CCCC=2
InChIInChI=1S/C12H16N2/c1-2-3-6-10-9-13-11-7-4-5-8-12(11)14-10/h7-9H,2-6H2,1H3
InChIKeyYWMKBMDIWAAPDD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.17
Rot. Bonds3

About 2-butyl-6,7-dihydroquinoxaline

2-butyl-6,7-dihydroquinoxaline (PubChem CID 88996616) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-butyl-6,7-dihydroquinoxaline.

Molecular Properties

Compound Name2-butyl-6,7-dihydroquinoxaline
PubChem CID88996616
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-butyl-6,7-dihydroquinoxaline
SMILESCCCCc1cnc2c(n1)=CCCC=2
InChIInChI=1S/C12H16N2/c1-2-3-6-10-9-13-11-7-4-5-8-12(11)14-10/h7-9H,2-6H2,1H3
InChIKeyYWMKBMDIWAAPDD-UHFFFAOYSA-N
XLogP1.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6,7-dihydroquinoxaline?
The IUPAC name of 2-butyl-6,7-dihydroquinoxaline (CID 88996616) is 2-butyl-6,7-dihydroquinoxaline.
What is the SMILES notation for 2-butyl-6,7-dihydroquinoxaline?
The canonical SMILES for 2-butyl-6,7-dihydroquinoxaline is CCCCc1cnc2c(n1)=CCCC=2.
What is the InChIKey of 2-butyl-6,7-dihydroquinoxaline?
The InChIKey is YWMKBMDIWAAPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-6-10-9-13-11-7-4-5-8-12(11)14-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-butyl-6,7-dihydroquinoxaline?
2-butyl-6,7-dihydroquinoxaline has a molecular weight of 188.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6,7-dihydroquinoxaline is sourced from PubChem (CID 88996616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).