N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide

C12H14N4O — CID 120507243

IUPACN-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
SMILESC[C@@H](CN)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H14N4O/c1-8(6-13)15-12(17)11-7-14-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6,13H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyWDNSOGJBIGNDJN-QMMMGPOBSA-N
MW230.27 g/mol
LogP0.71
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide

N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide (PubChem CID 120507243) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
PubChem CID120507243
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
SMILESC[C@@H](CN)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H14N4O/c1-8(6-13)15-12(17)11-7-14-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6,13H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyWDNSOGJBIGNDJN-QMMMGPOBSA-N
XLogP0.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
CID 107356567
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide (CID 120507243) is N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide is C[C@@H](CN)NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is WDNSOGJBIGNDJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(6-13)15-12(17)11-7-14-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6,13H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide?
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 120507243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).