3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline

C20H20N4O — CID 2017494

IUPAC3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESCCOCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O/c1-2-25-14-8-13-24-19(15-9-4-3-5-10-15)23-18-20(24)22-17-12-7-6-11-16(17)21-18/h3-7,9-12H,2,8,13-14H2,1H3
InChIKeyYZLPOFZWLVCDGD-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.07
Rot. Bonds6

About 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline

3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline (PubChem CID 2017494) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline
PubChem CID2017494
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESCCOCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O/c1-2-25-14-8-13-24-19(15-9-4-3-5-10-15)23-18-20(24)22-17-12-7-6-11-16(17)21-18/h3-7,9-12H,2,8,13-14H2,1H3
InChIKeyYZLPOFZWLVCDGD-UHFFFAOYSA-N
XLogP4.07
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 2005298
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
CID 663511
3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
CID 2038367
5-chloro-1-(3-ethoxypropyl)-2-(3-methylphenyl)benzimidazole
CID 46308726
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
13-(3-ethoxypropyl)-17-(3-methoxypropyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2029265
[5-(3-ethoxypropyl)-8-phenyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] benzoate
CID 3339432

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline (CID 2017494) is 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline is CCOCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline?
The InChIKey is YZLPOFZWLVCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-25-14-8-13-24-19(15-9-4-3-5-10-15)23-18-20(24)22-17-12-7-6-11-16(17)21-18/h3-7,9-12H,2,8,13-14H2,1H3.
What are the key properties of 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline?
3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline has a molecular weight of 332.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2017494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).