2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline

C19H20N4O2 — CID 663645

IUPAC2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
SMILESCC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O2/c1-13(2)24-12-6-10-23-18(16-9-5-11-25-16)22-17-19(23)21-15-8-4-3-7-14(15)20-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3
InChIKeyAUNFUILAOBLWAV-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.05
Rot. Bonds6

About 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline

2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline (PubChem CID 663645) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
PubChem CID663645
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
SMILESCC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O2/c1-13(2)24-12-6-10-23-18(16-9-5-11-25-16)22-17-19(23)21-15-8-4-3-7-14(15)20-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3
InChIKeyAUNFUILAOBLWAV-UHFFFAOYSA-N
XLogP4.05
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 19756
CID 19756
CID 60531
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CID 667146
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CID 649492
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CID 3164555
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CID 67889361
CID 67889361
CID 650866
CID 650866
CID 665033
CID 665033
CID 806167
CID 806167
CID 679754
CID 679754
CID 44401937
CID 44401937
CID 873118
CID 873118

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline (CID 663645) is 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline is CC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21.
What is the InChIKey of 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
The InChIKey is AUNFUILAOBLWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)24-12-6-10-23-18(16-9-5-11-25-16)22-17-19(23)21-15-8-4-3-7-14(15)20-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline has a molecular weight of 336.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 663645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).