1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone

C14H14N4O — CID 21435974

IUPAC1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone
SMILESCCCc1nc2nc3ccccc3nc2n1C(C)=O
InChIInChI=1S/C14H14N4O/c1-3-6-12-17-13-14(18(12)9(2)19)16-11-8-5-4-7-10(11)15-13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyUPUQJKRTFBBHDX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.59
Rot. Bonds2

About 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone

1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone (PubChem CID 21435974) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone
PubChem CID21435974
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone
SMILESCCCc1nc2nc3ccccc3nc2n1C(C)=O
InChIInChI=1S/C14H14N4O/c1-3-6-12-17-13-14(18(12)9(2)19)16-11-8-5-4-7-10(11)15-13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyUPUQJKRTFBBHDX-UHFFFAOYSA-N
XLogP2.59
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-propylimidazo[4,5-b]quinoxaline-3-carboxamide
CID 21436043
3-methyl-2-pentylimidazo[4,5-b]quinoxaline
CID 69396576
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
1-(2-diethylphosphanylbenzimidazol-1-yl)ethanone
CID 122452577
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
3-benzyl-5-(hydroxymethyl)-2-propylimidazole-4-carboxylic acid
CID 139830374
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone?
The IUPAC name of 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone (CID 21435974) is 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone.
What is the SMILES notation for 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone?
The canonical SMILES for 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone is CCCc1nc2nc3ccccc3nc2n1C(C)=O.
What is the InChIKey of 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone?
The InChIKey is UPUQJKRTFBBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-6-12-17-13-14(18(12)9(2)19)16-11-8-5-4-7-10(11)15-13/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone?
1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylimidazo[4,5-b]quinoxalin-3-yl)ethanone is sourced from PubChem (CID 21435974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).