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N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide

C24H28N4O2 — CID 171505297

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1cccc(-c2nc3ccccc3nc2N2CCC(NC(=O)C(C)(C)C)C2)c1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)23(29)25-17-12-13-28(15-17)22-21(16-8-7-9-18(14-16)30-4)26-19-10-5-6-11-20(19)27-22/h5-11,14,17H,12-13,15H2,1-4H3,(H,25,29)
InChIKeyCOJMQHAIADITPT-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.05
Rot. Bonds4

About N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide

N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 171505297) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID171505297
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1cccc(-c2nc3ccccc3nc2N2CCC(NC(=O)C(C)(C)C)C2)c1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)23(29)25-17-12-13-28(15-17)22-21(16-8-7-9-18(14-16)30-4)26-19-10-5-6-11-20(19)27-22/h5-11,14,17H,12-13,15H2,1-4H3,(H,25,29)
InChIKeyCOJMQHAIADITPT-UHFFFAOYSA-N
XLogP4.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 171505297) is N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide is COc1cccc(-c2nc3ccccc3nc2N2CCC(NC(=O)C(C)(C)C)C2)c1.
What is the InChIKey of N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is COJMQHAIADITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-24(2,3)23(29)25-17-12-13-28(15-17)22-21(16-8-7-9-18(14-16)30-4)26-19-10-5-6-11-20(19)27-22/h5-11,14,17H,12-13,15H2,1-4H3,(H,25,29).
What are the key properties of N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide?
N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 171505297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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