(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C18H26N4O2 — CID 177274145

IUPAC(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCC[C@H](C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H]1CCN(C)C1
InChIInChI=1S/C18H26N4O2/c1-4-12(2)16-17(23)20-14-7-5-6-8-15(14)22(16)18(24)19-13-9-10-21(3)11-13/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)/t12-,13-,16-/m0/s1
InChIKeyMYKKBMIPEVPNFE-XEZPLFJOSA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds3

About (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 177274145) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID177274145
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCC[C@H](C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H]1CCN(C)C1
InChIInChI=1S/C18H26N4O2/c1-4-12(2)16-17(23)20-14-7-5-6-8-15(14)22(16)18(24)19-13-9-10-21(3)11-13/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)/t12-,13-,16-/m0/s1
InChIKeyMYKKBMIPEVPNFE-XEZPLFJOSA-N
XLogP2.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-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)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 177274145) is (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is CC[C@H](C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H]1CCN(C)C1.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is MYKKBMIPEVPNFE-XEZPLFJOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-12(2)16-17(23)20-14-7-5-6-8-15(14)22(16)18(24)19-13-9-10-21(3)11-13/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)/t12-,13-,16-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 177274145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).