N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide

C14H17N3O3 — CID 103877657

IUPACN-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3O3/c1-20-9-10(18)6-7-15-14(19)13-8-16-11-4-2-3-5-12(11)17-13/h2-5,8,10,18H,6-7,9H2,1H3,(H,15,19)
InChIKeyTWLBXLRBHMDTID-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.76
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide

N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide (PubChem CID 103877657) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
PubChem CID103877657
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3O3/c1-20-9-10(18)6-7-15-14(19)13-8-16-11-4-2-3-5-12(11)17-13/h2-5,8,10,18H,6-7,9H2,1H3,(H,15,19)
InChIKeyTWLBXLRBHMDTID-UHFFFAOYSA-N
XLogP0.76
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
CID 103877146
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide (CID 103877657) is N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide is COCC(O)CCNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide?
The InChIKey is TWLBXLRBHMDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-9-10(18)6-7-15-14(19)13-8-16-11-4-2-3-5-12(11)17-13/h2-5,8,10,18H,6-7,9H2,1H3,(H,15,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide?
N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 103877657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).