6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide

C17H23N3O4 — CID 14389565

IUPAC6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide
SMILESCCCCCNC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C17H23N3O4/c1-5-6-7-8-18-16(21)15-17(22)20(2)12-10-14(24-4)13(23-3)9-11(12)19-15/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyZXWOLNJGBYLNKR-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.87
Rot. Bonds7

About 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide

6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide (PubChem CID 14389565) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide
PubChem CID14389565
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide
SMILESCCCCCNC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C17H23N3O4/c1-5-6-7-8-18-16(21)15-17(22)20(2)12-10-14(24-4)13(23-3)9-11(12)19-15/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyZXWOLNJGBYLNKR-UHFFFAOYSA-N
XLogP1.87
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid--triaza-1,2-dien-2-ium-1-ide (1/1)
CID 53439503
methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
CID 14718200
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
CID 71565543
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744
N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5059602
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide (CID 14389565) is 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide is CCCCCNC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O.
What is the InChIKey of 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide?
The InChIKey is ZXWOLNJGBYLNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-5-6-7-8-18-16(21)15-17(22)20(2)12-10-14(24-4)13(23-3)9-11(12)19-15/h9-10H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide?
6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methyl-3-oxo-N-pentylquinoxaline-2-carboxamide is sourced from PubChem (CID 14389565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).