butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate

C20H21N3O3 — CID 50765138

IUPACbutyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate
SMILESCCCCOC(=O)c1nc2ccccc2nc1Nc1cccc(OC)c1
InChIInChI=1S/C20H21N3O3/c1-3-4-12-26-20(24)18-19(21-14-8-7-9-15(13-14)25-2)23-17-11-6-5-10-16(17)22-18/h5-11,13H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyRUCLQAXQJZPGSJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.34
Rot. Bonds7

About butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate

butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate (PubChem CID 50765138) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Namebutyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate
PubChem CID50765138
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namebutyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate
SMILESCCCCOC(=O)c1nc2ccccc2nc1Nc1cccc(OC)c1
InChIInChI=1S/C20H21N3O3/c1-3-4-12-26-20(24)18-19(21-14-8-7-9-15(13-14)25-2)23-17-11-6-5-10-16(17)22-18/h5-11,13H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyRUCLQAXQJZPGSJ-UHFFFAOYSA-N
XLogP4.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 3-(3-methoxyanilino)quinoxaline-2-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

propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50765326
butyl 3-[(3-methoxybenzoyl)amino]benzoate
CID 19166278
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
3-(diethylamino)-N-(3-methoxyphenyl)quinoxaline-2-carboxamide
CID 46365121
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
methane;pentyl 3-methoxybenzoate
CID 175424879
[(2S)-oxolan-2-yl]methyl 3-(2,4-dimethoxyanilino)quinoxaline-2-carboxylate
CID 94070056
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
CID 50764877
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 142857826
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807

Frequently Asked Questions

What is the IUPAC name of butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate?
The IUPAC name of butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate (CID 50765138) is butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate?
The canonical SMILES for butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate is CCCCOC(=O)c1nc2ccccc2nc1Nc1cccc(OC)c1.
What is the InChIKey of butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate?
The InChIKey is RUCLQAXQJZPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-4-12-26-20(24)18-19(21-14-8-7-9-15(13-14)25-2)23-17-11-6-5-10-16(17)22-18/h5-11,13H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate?
butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50765138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).