N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide

C15H19N3O3 — CID 103712673

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H19N3O3/c1-15(20,5-8-21-2)10-18-14(19)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9,20H,5,8,10H2,1-2H3,(H,18,19)
InChIKeyDJEDXJDIEMDYOS-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.15
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide (PubChem CID 103712673) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
PubChem CID103712673
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H19N3O3/c1-15(20,5-8-21-2)10-18-14(19)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9,20H,5,8,10H2,1-2H3,(H,18,19)
InChIKeyDJEDXJDIEMDYOS-UHFFFAOYSA-N
XLogP1.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
CID 103712720
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide (CID 103712673) is N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide is COCCC(C)(O)CNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide?
The InChIKey is DJEDXJDIEMDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(20,5-8-21-2)10-18-14(19)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9,20H,5,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 103712673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).