methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate

C17H19N3O3 — CID 141205828

IUPACmethyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate
SMILESCCCCCc1ncc2c(=O)[nH]c3ccc(C(=O)OC)cc3n12
InChIInChI=1S/C17H19N3O3/c1-3-4-5-6-15-18-10-14-16(21)19-12-8-7-11(17(22)23-2)9-13(12)20(14)15/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyDODBREXNXGIZNC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.70
Rot. Bonds5

About methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate

methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate (PubChem CID 141205828) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate
PubChem CID141205828
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate
SMILESCCCCCc1ncc2c(=O)[nH]c3ccc(C(=O)OC)cc3n12
InChIInChI=1S/C17H19N3O3/c1-3-4-5-6-15-18-10-14-16(21)19-12-8-7-11(17(22)23-2)9-13(12)20(14)15/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyDODBREXNXGIZNC-UHFFFAOYSA-N
XLogP2.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-3-pentylbenzoate
CID 142303739
methyl 4-[4-[2,4,5-tris(2-dodecylpyrimidin-5-yl)-3,6-bis[4-(4-methoxycarbonylphenyl)phenyl]phenyl]phenyl]benzoate
CID 132595452
2-butyl-3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]imidazole-4-carboxylic acid
CID 139628222
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143
dimethyl 5-decylbenzene-1,3-dicarboxylate
CID 90349980
methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate
CID 102575760
methyl 2-[4-(dipropylamino)butyl]-3-methylbenzimidazole-5-carboxylate
CID 67103508
methyl 3-(hexylamino)-4-methylbenzoate
CID 43228580
methyl 4-amino-3-octoxybenzoate
CID 15434652
methyl 4-amino-3-nonoxybenzoate
CID 43380216
methyl 2-octyl-1,3-benzoxazole-6-carboxylate
CID 10732176
methyl 4-[(2-butyl-5-formylimidazol-1-yl)methyl]-3-chlorobenzoate
CID 19919877

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate?
The IUPAC name of methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate (CID 141205828) is methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate.
What is the SMILES notation for methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate?
The canonical SMILES for methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate is CCCCCc1ncc2c(=O)[nH]c3ccc(C(=O)OC)cc3n12.
What is the InChIKey of methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate?
The InChIKey is DODBREXNXGIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-4-5-6-15-18-10-14-16(21)19-12-8-7-11(17(22)23-2)9-13(12)20(14)15/h7-10H,3-6H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate?
methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate is sourced from PubChem (CID 141205828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).