N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide

C15H19N3O2 — CID 103713237

IUPACN-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H19N3O2/c1-3-6-15(2,20)10-18-14(19)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-9,20H,3,6,10H2,1-2H3,(H,18,19)
InChIKeyUMAWPDJAEAVIAA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide

N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide (PubChem CID 103713237) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
PubChem CID103713237
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H19N3O2/c1-3-6-15(2,20)10-18-14(19)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-9,20H,3,6,10H2,1-2H3,(H,18,19)
InChIKeyUMAWPDJAEAVIAA-UHFFFAOYSA-N
XLogP1.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide (CID 103713237) is N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide is CCCC(C)(O)CNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide?
The InChIKey is UMAWPDJAEAVIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-6-15(2,20)10-18-14(19)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-9,20H,3,6,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide?
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 103713237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).