diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate

C22H23NO4 — CID 10832664

IUPACdiethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccccc2N(C)C1C(=O)OCC
InChIInChI=1S/C22H23NO4/c1-4-26-21(24)19-18(15-11-7-6-8-12-15)16-13-9-10-14-17(16)23(3)20(19)22(25)27-5-2/h6-14,20H,4-5H2,1-3H3
InChIKeyDFXFZPXXJBFRPN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.43
Rot. Bonds5

About diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate

diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate (PubChem CID 10832664) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate
PubChem CID10832664
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namediethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccccc2N(C)C1C(=O)OCC
InChIInChI=1S/C22H23NO4/c1-4-26-21(24)19-18(15-11-7-6-8-12-15)16-13-9-10-14-17(16)23(3)20(19)22(25)27-5-2/h6-14,20H,4-5H2,1-3H3
InChIKeyDFXFZPXXJBFRPN-UHFFFAOYSA-N
XLogP3.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

O2,O3-diethyl O1-methyl 2,4-dimethylquinoline-1,2,3-tricarboxylate
CID 17756858
2-O-ethyl 3-O-methyl 4-(cyclohexen-1-yl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate
CID 17756879
2-O-ethyl 3-O-methyl 4-pentyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate
CID 17756882
diethyl 4-phenyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate
CID 11420296
2-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate
CID 11443160
2-O-ethyl 3-O-methyl 4-(2-methylpropyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate
CID 17756853
diethyl 4-methyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate
CID 17756855
diethyl 4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 118724447
diethyl 4-(3-methylanilino)-1-(3-methylphenyl)-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 118724448
diethyl 4-(4-ethylanilino)-1-(4-ethylphenyl)-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 118724449
dimethyl 4-(2,2,2-trifluoroacetyl)-4aH-benzo[f]quinolizine-1,2-dicarboxylate
CID 135003355
diethyl 4-(2,2,2-trifluoroacetyl)-4aH-benzo[f]quinolizine-1,2-dicarboxylate
CID 135003554

Frequently Asked Questions

What is the IUPAC name of diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate?
The IUPAC name of diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate (CID 10832664) is diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate?
The canonical SMILES for diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate is CCOC(=O)C1=C(c2ccccc2)c2ccccc2N(C)C1C(=O)OCC.
What is the InChIKey of diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate?
The InChIKey is DFXFZPXXJBFRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-26-21(24)19-18(15-11-7-6-8-12-15)16-13-9-10-14-17(16)23(3)20(19)22(25)27-5-2/h6-14,20H,4-5H2,1-3H3.
What are the key properties of diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate?
diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-methyl-4-phenyl-2H-quinoline-2,3-dicarboxylate is sourced from PubChem (CID 10832664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).