(6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone

C16H11ClN4O2 — CID 21435973

IUPAC(6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone
SMILESCCc1nc2nc3cc(Cl)ccc3nc2n1C(=O)c1ccco1
InChIInChI=1S/C16H11ClN4O2/c1-2-13-20-14-15(21(13)16(22)12-4-3-7-23-12)19-10-6-5-9(17)8-11(10)18-14/h3-8H,2H2,1H3
InChIKeyMMYOOXBCBMSPNG-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.48
Rot. Bonds2

About (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone

(6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone (PubChem CID 21435973) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone
PubChem CID21435973
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name(6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone
SMILESCCc1nc2nc3cc(Cl)ccc3nc2n1C(=O)c1ccco1
InChIInChI=1S/C16H11ClN4O2/c1-2-13-20-14-15(21(13)16(22)12-4-3-7-23-12)19-10-6-5-9(17)8-11(10)18-14/h3-8H,2H2,1H3
InChIKeyMMYOOXBCBMSPNG-UHFFFAOYSA-N
XLogP3.48
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone (CID 21435973) is (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone is CCc1nc2nc3cc(Cl)ccc3nc2n1C(=O)c1ccco1.
What is the InChIKey of (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone?
The InChIKey is MMYOOXBCBMSPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c1-2-13-20-14-15(21(13)16(22)12-4-3-7-23-12)19-10-6-5-9(17)8-11(10)18-14/h3-8H,2H2,1H3.
What are the key properties of (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone?
(6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone has a molecular weight of 326.74 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-ethylimidazo[4,5-b]quinoxalin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 21435973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).