methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate

C21H19N3O2 — CID 50765071

IUPACmethyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2ccccc2nc1N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H19N3O2/c1-26-21(25)19-20(23-18-10-6-5-9-17(18)22-19)24-13-11-16(12-14-24)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3
InChIKeyJBHZETRYKWTRNK-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.71
Rot. Bonds3

About methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate

methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate (PubChem CID 50765071) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate
PubChem CID50765071
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Namemethyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2ccccc2nc1N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H19N3O2/c1-26-21(25)19-20(23-18-10-6-5-9-17(18)22-19)24-13-11-16(12-14-24)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3
InChIKeyJBHZETRYKWTRNK-UHFFFAOYSA-N
XLogP3.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate?
The IUPAC name of methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate (CID 50765071) is methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate.
What is the SMILES notation for methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate?
The canonical SMILES for methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate is COC(=O)c1nc2ccccc2nc1N1CC=C(c2ccccc2)CC1.
What is the InChIKey of methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate?
The InChIKey is JBHZETRYKWTRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-21(25)19-20(23-18-10-6-5-9-17(18)22-19)24-13-11-16(12-14-24)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3.
What are the key properties of methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate?
methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate is sourced from PubChem (CID 50765071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).