1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one

C23H25N3O4 — CID 134150578

IUPAC1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H](Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1
InChIInChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
InChIKeySOOIWWIBFDIDEP-QGZVFWFLSA-N
MW407.47 g/mol
LogP3.70
Rot. Bonds6

About 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one

1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one (PubChem CID 134150578) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one
PubChem CID134150578
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H](Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1
InChIInChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
InChIKeySOOIWWIBFDIDEP-QGZVFWFLSA-N
XLogP3.70
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one (CID 134150578) is 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC[C@@H](Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1.
What is the InChIKey of 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one?
The InChIKey is SOOIWWIBFDIDEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one?
1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one has a molecular weight of 407.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 134150578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).