N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C15H23N3O2 — CID 107199978

IUPACN-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H23N3O2/c1-18(9-3-2-4-10-19)15(20)12-5-6-13-14(11-12)17-8-7-16-13/h5-6,11,16-17,19H,2-4,7-10H2,1H3
InChIKeyZZSVMPJGZWWXBI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds6

About N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 107199978) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID107199978
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H23N3O2/c1-18(9-3-2-4-10-19)15(20)12-5-6-13-14(11-12)17-8-7-16-13/h5-6,11,16-17,19H,2-4,7-10H2,1H3
InChIKeyZZSVMPJGZWWXBI-UHFFFAOYSA-N
XLogP1.76
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
CID 107199269
N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
CID 114230179
N-(5-hydroxypentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107203154
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
CID 107201918
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 107199978) is N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CN(CCCCCO)C(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is ZZSVMPJGZWWXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(9-3-2-4-10-19)15(20)12-5-6-13-14(11-12)17-8-7-16-13/h5-6,11,16-17,19H,2-4,7-10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 107199978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).