pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

C23H18N2O3 — CID 2334881

IUPACpyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C23H18N2O3/c1-27-18-11-9-16(10-12-18)22-14-20(19-7-2-3-8-21(19)25-22)23(26)28-15-17-6-4-5-13-24-17/h2-14H,15H2,1H3
InChIKeyIYGNQYLLATZUIG-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.66
Rot. Bonds5

About pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 2334881) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID2334881
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Namepyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C23H18N2O3/c1-27-18-11-9-16(10-12-18)22-14-20(19-7-2-3-8-21(19)25-22)23(26)28-15-17-6-4-5-13-24-17/h2-14H,15H2,1H3
InChIKeyIYGNQYLLATZUIG-UHFFFAOYSA-N
XLogP4.66
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 2334881) is pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is IYGNQYLLATZUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-27-18-11-9-16(10-12-18)22-14-20(19-7-2-3-8-21(19)25-22)23(26)28-15-17-6-4-5-13-24-17/h2-14H,15H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2334881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).