(3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H24N2O5 — CID 141466077

IUPAC(3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCC(C)Oc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H24N2O5/c1-6-13(2)29-22-19(23-15-9-7-8-10-16(15)24-22)20(25)14-11-17(26-3)21(28-5)18(12-14)27-4/h7-13H,6H2,1-5H3
InChIKeyQSLCSQQMEBFGOH-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.06
Rot. Bonds8

About (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466077) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466077
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCC(C)Oc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H24N2O5/c1-6-13(2)29-22-19(23-15-9-7-8-10-16(15)24-22)20(25)14-11-17(26-3)21(28-5)18(12-14)27-4/h7-13H,6H2,1-5H3
InChIKeyQSLCSQQMEBFGOH-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466077) is (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is CCC(C)Oc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QSLCSQQMEBFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-6-13(2)29-22-19(23-15-9-7-8-10-16(15)24-22)20(25)14-11-17(26-3)21(28-5)18(12-14)27-4/h7-13H,6H2,1-5H3.
What are the key properties of (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 396.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).