N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide

C14H18N4O — CID 103807153

IUPACN-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
SMILESCC(C)C(N)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-9(2)10(15)7-17-14(19)13-8-16-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,17,19)
InChIKeyVFCVKTDRNAEYFK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds4

About N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide

N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide (PubChem CID 103807153) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
PubChem CID103807153
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
SMILESCC(C)C(N)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-9(2)10(15)7-17-14(19)13-8-16-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,17,19)
InChIKeyVFCVKTDRNAEYFK-UHFFFAOYSA-N
XLogP1.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]quinoxaline-2-carboxamide
CID 94159016
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
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-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide (CID 103807153) is N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide is CC(C)C(N)CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide?
The InChIKey is VFCVKTDRNAEYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)10(15)7-17-14(19)13-8-16-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide?
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 103807153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).