3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

C23H26N4O3 — CID 24590248

IUPAC3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nc3ccccc3nc2N2CCCC2)c1OC
InChIInChI=1S/C23H26N4O3/c1-29-19-11-7-8-16(21(19)30-2)12-13-20(28)26-22-23(27-14-5-6-15-27)25-18-10-4-3-9-17(18)24-22/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,24,26,28)
InChIKeyOPJCMQOBZFMGGA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.82
Rot. Bonds7

About 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (PubChem CID 24590248) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
PubChem CID24590248
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nc3ccccc3nc2N2CCCC2)c1OC
InChIInChI=1S/C23H26N4O3/c1-29-19-11-7-8-16(21(19)30-2)12-13-20(28)26-22-23(27-14-5-6-15-27)25-18-10-4-3-9-17(18)24-22/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,24,26,28)
InChIKeyOPJCMQOBZFMGGA-UHFFFAOYSA-N
XLogP3.82
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (CID 24590248) is 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is COc1cccc(CCC(=O)Nc2nc3ccccc3nc2N2CCCC2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The InChIKey is OPJCMQOBZFMGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-19-11-7-8-16(21(19)30-2)12-13-20(28)26-22-23(27-14-5-6-15-27)25-18-10-4-3-9-17(18)24-22/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,24,26,28).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide has a molecular weight of 406.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is sourced from PubChem (CID 24590248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).