1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

C19H22N4O3S2 — CID 2005962

IUPAC1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCC(C)OCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C19H22N4O3S2/c1-14(2)26-11-6-10-22-13-23(28(24,25)17-9-5-12-27-17)19-18(22)20-15-7-3-4-8-16(15)21-19/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3
InChIKeyMYFVPLPLGVLDOR-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.48
Rot. Bonds7

About 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2005962) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2005962
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCC(C)OCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C19H22N4O3S2/c1-14(2)26-11-6-10-22-13-23(28(24,25)17-9-5-12-27-17)19-18(22)20-15-7-3-4-8-16(15)21-19/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3
InChIKeyMYFVPLPLGVLDOR-UHFFFAOYSA-N
XLogP3.48
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methoxyethyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 1947381
3-(3-Methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2001972
[3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide
CID 3751260
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 663384
1-(Oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 663725
1-((tetrahydrofuran-2-yl)methyl)-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664103
1-(phenylsulfonyl)-3-[3-(propan-2-yloxy)propyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664320
N-[(2Z)-3-(prop-2-en-1-ylamino)quinoxalin-2(1H)-ylidene]thiophene-2-sulfonamide
CID 664470
1-(2-Methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 664639
N-(3-(butylamino)quinoxalin-2-yl)thiophene-2-sulfonamide
CID 664661
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
CID 664837
1-(prop-2-en-1-yl)-3-(thiophen-2-ylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 665001

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2005962) is 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is CC(C)OCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is MYFVPLPLGVLDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-14(2)26-11-6-10-22-13-23(28(24,25)17-9-5-12-27-17)19-18(22)20-15-7-3-4-8-16(15)21-19/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3.
What are the key properties of 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 418.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxypropyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2005962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).