3-methyl-2-pentylimidazo[4,5-b]quinoxaline

C15H18N4 — CID 69396576

IUPAC3-methyl-2-pentylimidazo[4,5-b]quinoxaline
SMILESCCCCCc1nc2nc3ccccc3nc2n1C
InChIInChI=1S/C15H18N4/c1-3-4-5-10-13-18-14-15(19(13)2)17-12-9-7-6-8-11(12)16-14/h6-9H,3-5,10H2,1-2H3
InChIKeyVJYCDEQXFJALOM-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.25
Rot. Bonds4

About 3-methyl-2-pentylimidazo[4,5-b]quinoxaline

3-methyl-2-pentylimidazo[4,5-b]quinoxaline (PubChem CID 69396576) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-methyl-2-pentylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-methyl-2-pentylimidazo[4,5-b]quinoxaline
PubChem CID69396576
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-methyl-2-pentylimidazo[4,5-b]quinoxaline
SMILESCCCCCc1nc2nc3ccccc3nc2n1C
InChIInChI=1S/C15H18N4/c1-3-4-5-10-13-18-14-15(19(13)2)17-12-9-7-6-8-11(12)16-14/h6-9H,3-5,10H2,1-2H3
InChIKeyVJYCDEQXFJALOM-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline
CID 4634591
1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone
CID 21435974
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
1-ethyl-2-pentylbenzimidazole
CID 3463966
N-methyl-2-propylimidazo[4,5-b]quinoxaline-3-carboxamide
CID 21436043
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2,3-dibutylquinoxaline
CID 14641798

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-methyl-2-pentylimidazo[4,5-b]quinoxaline (CID 69396576) is 3-methyl-2-pentylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-methyl-2-pentylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-methyl-2-pentylimidazo[4,5-b]quinoxaline is CCCCCc1nc2nc3ccccc3nc2n1C.
What is the InChIKey of 3-methyl-2-pentylimidazo[4,5-b]quinoxaline?
The InChIKey is VJYCDEQXFJALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-4-5-10-13-18-14-15(19(13)2)17-12-9-7-6-8-11(12)16-14/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 3-methyl-2-pentylimidazo[4,5-b]quinoxaline?
3-methyl-2-pentylimidazo[4,5-b]quinoxaline has a molecular weight of 254.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 69396576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).