dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate

C24H18N2O4 — CID 51049624

IUPACdimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC)c(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C24H18N2O4/c1-29-23(27)20-14-17(15-8-4-3-5-9-15)21(24(28)30-2)22(26-20)19-13-12-16-10-6-7-11-18(16)25-19/h3-14H,1-2H3
InChIKeyGUBYJWACGLXQGL-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.54
Rot. Bonds4

About dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate

dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate (PubChem CID 51049624) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate
PubChem CID51049624
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Namedimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC)c(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C24H18N2O4/c1-29-23(27)20-14-17(15-8-4-3-5-9-15)21(24(28)30-2)22(26-20)19-13-12-16-10-6-7-11-18(16)25-19/h3-14H,1-2H3
InChIKeyGUBYJWACGLXQGL-UHFFFAOYSA-N
XLogP4.54
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate?
The IUPAC name of dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate (CID 51049624) is dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate is COC(=O)c1cc(-c2ccccc2)c(C(=O)OC)c(-c2ccc3ccccc3n2)n1.
What is the InChIKey of dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate?
The InChIKey is GUBYJWACGLXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-29-23(27)20-14-17(15-8-4-3-5-9-15)21(24(28)30-2)22(26-20)19-13-12-16-10-6-7-11-18(16)25-19/h3-14H,1-2H3.
What are the key properties of dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate?
dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate has a molecular weight of 398.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate is sourced from PubChem (CID 51049624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).