methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate

C25H21N3O2 — CID 67041707

IUPACmethyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(C3CCc4ccccc4N3)nc2c1
InChIInChI=1S/C25H21N3O2/c1-30-25(29)18-12-13-20-22(15-18)28-24(23(27-20)17-8-3-2-4-9-17)21-14-11-16-7-5-6-10-19(16)26-21/h2-10,12-13,15,21,26H,11,14H2,1H3
InChIKeyLJSZLQQWRRETQX-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.18
Rot. Bonds3

About methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate

methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate (PubChem CID 67041707) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate
PubChem CID67041707
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Namemethyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(C3CCc4ccccc4N3)nc2c1
InChIInChI=1S/C25H21N3O2/c1-30-25(29)18-12-13-20-22(15-18)28-24(23(27-20)17-8-3-2-4-9-17)21-14-11-16-7-5-6-10-19(16)26-21/h2-10,12-13,15,21,26H,11,14H2,1H3
InChIKeyLJSZLQQWRRETQX-UHFFFAOYSA-N
XLogP5.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate with MolForge

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Related Compounds

Methyl 6-quinoxalinecarboxylate
CID 2781239
Ethyl 2,3-dimethylquinoxaline-6-carboxylate
CID 2826621
Propan-2-yl phenazine-2-carboxylate
CID 3767092
2,3-Diphenylquinoxaline-6-carboxylic acid
CID 629852
Methyl 4-((2,6-dimethylquinolin-4-yl)amino)benzoate hydrochloride
CID 2789795
Ethyl 3-phenylquinoxaline-6-carboxylate
CID 4641052
11-(2-Dimethylamino-ethylcarbamoyl)-benzo[a]phenazine-4-carboxylic acid methyl ester
CID 11825587
Methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate
CID 146476157
4-[[Oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]amino]benzoic acid methyl ester
CID 2220860
Methyl 4-({[2-(pyridin-4-yl)quinolin-4-yl]carbonyl}amino)benzoate
CID 2327757
Methyl 2-(quinoxaline-6-carboxamido)benzoate
CID 2466236
methyl 4-[[(2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]benzoate
CID 2468748

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate (CID 67041707) is methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(C3CCc4ccccc4N3)nc2c1.
What is the InChIKey of methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
The InChIKey is LJSZLQQWRRETQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-25(29)18-12-13-20-22(15-18)28-24(23(27-20)17-8-3-2-4-9-17)21-14-11-16-7-5-6-10-19(16)26-21/h2-10,12-13,15,21,26H,11,14H2,1H3.
What are the key properties of methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 67041707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).