N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide

C13H16N4O2 — CID 64541023

IUPACN-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
SMILESCC(O)C(N)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H16N4O2/c1-8(18)10(14)7-17-13(19)9-2-3-11-12(6-9)16-5-4-15-11/h2-6,8,10,18H,7,14H2,1H3,(H,17,19)
InChIKeyBWXNWEYXLTZCKZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.07
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide

N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide (PubChem CID 64541023) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
PubChem CID64541023
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
SMILESCC(O)C(N)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H16N4O2/c1-8(18)10(14)7-17-13(19)9-2-3-11-12(6-9)16-5-4-15-11/h2-6,8,10,18H,7,14H2,1H3,(H,17,19)
InChIKeyBWXNWEYXLTZCKZ-UHFFFAOYSA-N
XLogP0.07
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide (CID 64541023) is N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide is CC(O)C(N)CNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide?
The InChIKey is BWXNWEYXLTZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(18)10(14)7-17-13(19)9-2-3-11-12(6-9)16-5-4-15-11/h2-6,8,10,18H,7,14H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide?
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 64541023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).