5-butan-2-ylquinoxaline

C12H14N2 — CID 123654553

IUPAC5-butan-2-ylquinoxaline
SMILESCCC(C)c1cccc2nccnc12
InChIInChI=1S/C12H14N2/c1-3-9(2)10-5-4-6-11-12(10)14-8-7-13-11/h4-9H,3H2,1-2H3
InChIKeyYLRSLPIWQFVPNB-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.14
Rot. Bonds2

About 5-butan-2-ylquinoxaline

5-butan-2-ylquinoxaline (PubChem CID 123654553) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-butan-2-ylquinoxaline.

Molecular Properties

Compound Name5-butan-2-ylquinoxaline
PubChem CID123654553
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-butan-2-ylquinoxaline
SMILESCCC(C)c1cccc2nccnc12
InChIInChI=1S/C12H14N2/c1-3-9(2)10-5-4-6-11-12(10)14-8-7-13-11/h4-9H,3H2,1-2H3
InChIKeyYLRSLPIWQFVPNB-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-ylquinoxaline 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

(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
N-ethyl-3-methyl-1-quinoxalin-5-ylpentan-1-amine
CID 105138311
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
5-butan-2-yl-3-methyl-2-phenylquinoxaline
CID 91110589
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
1-butan-2-ylphenothiazin-5-ium
CID 89077309
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
1-butan-2-ylphenothiazin-5-ium iodide
CID 89077308
N-methyl-1-phenyl-1-quinoxalin-5-ylmethanamine
CID 105084067
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylquinoxaline?
The IUPAC name of 5-butan-2-ylquinoxaline (CID 123654553) is 5-butan-2-ylquinoxaline.
What is the SMILES notation for 5-butan-2-ylquinoxaline?
The canonical SMILES for 5-butan-2-ylquinoxaline is CCC(C)c1cccc2nccnc12.
What is the InChIKey of 5-butan-2-ylquinoxaline?
The InChIKey is YLRSLPIWQFVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9(2)10-5-4-6-11-12(10)14-8-7-13-11/h4-9H,3H2,1-2H3.
What are the key properties of 5-butan-2-ylquinoxaline?
5-butan-2-ylquinoxaline has a molecular weight of 186.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylquinoxaline is sourced from PubChem (CID 123654553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).