N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C18H24N4O2 — CID 56713228

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN1CCC(C)(CNC(=O)CCc2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C18H24N4O2/c1-18(9-10-22(2)12-18)11-19-16(23)8-7-15-17(24)21-14-6-4-3-5-13(14)20-15/h3-6H,7-12H2,1-2H3,(H,19,23)(H,21,24)
InChIKeySMNBXWGCUBIEGM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.31
Rot. Bonds5

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 56713228) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID56713228
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN1CCC(C)(CNC(=O)CCc2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C18H24N4O2/c1-18(9-10-22(2)12-18)11-19-16(23)8-7-15-17(24)21-14-6-4-3-5-13(14)20-15/h3-6H,7-12H2,1-2H3,(H,19,23)(H,21,24)
InChIKeySMNBXWGCUBIEGM-UHFFFAOYSA-N
XLogP1.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72876216
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 56713228) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CN1CCC(C)(CNC(=O)CCc2nc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is SMNBXWGCUBIEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(9-10-22(2)12-18)11-19-16(23)8-7-15-17(24)21-14-6-4-3-5-13(14)20-15/h3-6H,7-12H2,1-2H3,(H,19,23)(H,21,24).
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 56713228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).