(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide

C18H23N5O2 — CID 56721566

IUPAC(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H23N5O2/c1-4-20-17(24)16-8-13(19)9-23(16)18(25)12-5-6-14-15(7-12)22-11(3)10(2)21-14/h5-7,13,16H,4,8-9,19H2,1-3H3,(H,20,24)/t13-,16-/m0/s1
InChIKeyBJHRGZDXIYHWQV-BBRMVZONSA-N
MW341.42 g/mol
LogP0.92
Rot. Bonds3

About (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide (PubChem CID 56721566) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide
PubChem CID56721566
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H23N5O2/c1-4-20-17(24)16-8-13(19)9-23(16)18(25)12-5-6-14-15(7-12)22-11(3)10(2)21-14/h5-7,13,16H,4,8-9,19H2,1-3H3,(H,20,24)/t13-,16-/m0/s1
InChIKeyBJHRGZDXIYHWQV-BBRMVZONSA-N
XLogP0.92
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide 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 (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide (CID 56721566) is (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is BJHRGZDXIYHWQV-BBRMVZONSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-20-17(24)16-8-13(19)9-23(16)18(25)12-5-6-14-15(7-12)22-11(3)10(2)21-14/h5-7,13,16H,4,8-9,19H2,1-3H3,(H,20,24)/t13-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56721566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).