[3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C22H24N2O5 — CID 141466065

IUPAC[3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OCC(C)C)cc(OC)c1OC
InChIInChI=1S/C22H24N2O5/c1-13(2)12-29-22-19(23-15-8-6-7-9-16(15)24-22)20(25)14-10-17(26-3)21(28-5)18(11-14)27-4/h6-11,13H,12H2,1-5H3
InChIKeyRRBPUCNNLSIVPN-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.92
Rot. Bonds8

About [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466065) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466065
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OCC(C)C)cc(OC)c1OC
InChIInChI=1S/C22H24N2O5/c1-13(2)12-29-22-19(23-15-8-6-7-9-16(15)24-22)20(25)14-10-17(26-3)21(28-5)18(11-14)27-4/h6-11,13H,12H2,1-5H3
InChIKeyRRBPUCNNLSIVPN-UHFFFAOYSA-N
XLogP3.92
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 141466065) is [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc3ccccc3nc2OCC(C)C)cc(OC)c1OC.
What is the InChIKey of [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RRBPUCNNLSIVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-13(2)12-29-22-19(23-15-8-6-7-9-16(15)24-22)20(25)14-10-17(26-3)21(28-5)18(11-14)27-4/h6-11,13H,12H2,1-5H3.
What are the key properties of [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 396.44 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).