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

C21H21ClN4O — CID 2005298

IUPAC2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
SMILESCC(C)OCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21
InChIInChI=1S/C21H21ClN4O/c1-14(2)27-13-5-12-26-20(15-8-10-16(22)11-9-15)25-19-21(26)24-18-7-4-3-6-17(18)23-19/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyAWCWQYDWEHVTRI-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.11
Rot. Bonds6

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

2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline (PubChem CID 2005298) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
PubChem CID2005298
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
SMILESCC(C)OCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21
InChIInChI=1S/C21H21ClN4O/c1-14(2)27-13-5-12-26-20(15-8-10-16(22)11-9-15)25-19-21(26)24-18-7-4-3-6-17(18)23-19/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyAWCWQYDWEHVTRI-UHFFFAOYSA-N
XLogP5.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline (CID 2005298) is 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline is CC(C)OCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
The InChIKey is AWCWQYDWEHVTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-14(2)27-13-5-12-26-20(15-8-10-16(22)11-9-15)25-19-21(26)24-18-7-4-3-6-17(18)23-19/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline?
2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline has a molecular weight of 380.88 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2005298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).