N-(2-methylpropyl)quinoxaline-2-carboxamide

C13H15N3O — CID 32978197

IUPACN-(2-methylpropyl)quinoxaline-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-9(2)7-15-13(17)12-8-14-10-5-3-4-6-11(10)16-12/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyAXMKUAKQYWISQH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds3

About N-(2-methylpropyl)quinoxaline-2-carboxamide

N-(2-methylpropyl)quinoxaline-2-carboxamide (PubChem CID 32978197) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-methylpropyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)quinoxaline-2-carboxamide
PubChem CID32978197
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-methylpropyl)quinoxaline-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-9(2)7-15-13(17)12-8-14-10-5-3-4-6-11(10)16-12/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyAXMKUAKQYWISQH-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]quinoxaline-2-carboxamide
CID 94159016
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide
CID 90622948
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)quinoxaline-2-carboxamide (CID 32978197) is N-(2-methylpropyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)quinoxaline-2-carboxamide is CC(C)CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-methylpropyl)quinoxaline-2-carboxamide?
The InChIKey is AXMKUAKQYWISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(2)7-15-13(17)12-8-14-10-5-3-4-6-11(10)16-12/h3-6,8-9H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)quinoxaline-2-carboxamide?
N-(2-methylpropyl)quinoxaline-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 32978197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).