N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide

C16H20N4O2 — CID 82177043

IUPACN-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCc1nc2ccccc2[nH]c1=O)C1CCNC1
InChIInChI=1S/C16H20N4O2/c1-20(11-8-9-17-10-11)15(21)7-6-14-16(22)19-13-5-3-2-4-12(13)18-14/h2-5,11,17H,6-10H2,1H3,(H,19,22)
InChIKeyVJXMRRPFDCMBTA-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.68
Rot. Bonds4

About N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide

N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide (PubChem CID 82177043) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
PubChem CID82177043
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCc1nc2ccccc2[nH]c1=O)C1CCNC1
InChIInChI=1S/C16H20N4O2/c1-20(11-8-9-17-10-11)15(21)7-6-14-16(22)19-13-5-3-2-4-12(13)18-14/h2-5,11,17H,6-10H2,1H3,(H,19,22)
InChIKeyVJXMRRPFDCMBTA-UHFFFAOYSA-N
XLogP0.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide (CID 82177043) is N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide is CN(C(=O)CCc1nc2ccccc2[nH]c1=O)C1CCNC1.
What is the InChIKey of N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is VJXMRRPFDCMBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(11-8-9-17-10-11)15(21)7-6-14-16(22)19-13-5-3-2-4-12(13)18-14/h2-5,11,17H,6-10H2,1H3,(H,19,22).
What are the key properties of N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide?
N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 82177043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).