N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide

C14H17N3O2 — CID 104580610

IUPACN-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H17N3O2/c1-9(2)12(18)8-17-14(19)10-4-3-5-11-13(10)16-7-6-15-11/h3-7,9,12,18H,8H2,1-2H3,(H,17,19)
InChIKeyHCXTVSLHHKPFOQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide

N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide (PubChem CID 104580610) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
PubChem CID104580610
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H17N3O2/c1-9(2)12(18)8-17-14(19)10-4-3-5-11-13(10)16-7-6-15-11/h3-7,9,12,18H,8H2,1-2H3,(H,17,19)
InChIKeyHCXTVSLHHKPFOQ-UHFFFAOYSA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide
CID 163318556
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide (CID 104580610) is N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide is CC(C)C(O)CNC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide?
The InChIKey is HCXTVSLHHKPFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)12(18)8-17-14(19)10-4-3-5-11-13(10)16-7-6-15-11/h3-7,9,12,18H,8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide?
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104580610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).