6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one

C22H24Cl2N2O2 — CID 164670947

IUPAC6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one
SMILESCCn1c(=O)c(C(COC(C)(C)C)c2ccccc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H24Cl2N2O2/c1-5-26-19-12-17(24)16(23)11-18(19)25-20(21(26)27)15(13-28-22(2,3)4)14-9-7-6-8-10-14/h6-12,15H,5,13H2,1-4H3
InChIKeyPRJDMMXHPMWDBM-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.67
Rot. Bonds5

About 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one

6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one (PubChem CID 164670947) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one
PubChem CID164670947
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one
SMILESCCn1c(=O)c(C(COC(C)(C)C)c2ccccc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H24Cl2N2O2/c1-5-26-19-12-17(24)16(23)11-18(19)25-20(21(26)27)15(13-28-22(2,3)4)14-9-7-6-8-10-14/h6-12,15H,5,13H2,1-4H3
InChIKeyPRJDMMXHPMWDBM-UHFFFAOYSA-N
XLogP5.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one (CID 164670947) is 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one is CCn1c(=O)c(C(COC(C)(C)C)c2ccccc2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one?
The InChIKey is PRJDMMXHPMWDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-5-26-19-12-17(24)16(23)11-18(19)25-20(21(26)27)15(13-28-22(2,3)4)14-9-7-6-8-10-14/h6-12,15H,5,13H2,1-4H3.
What are the key properties of 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one?
6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one has a molecular weight of 419.35 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]quinoxalin-2-one is sourced from PubChem (CID 164670947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).