ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate

C20H19NO3 — CID 22425101

IUPACethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC)c2c1
InChIInChI=1S/C20H19NO3/c1-3-23-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(12-16(17)19)20(22)24-4-2/h5-13H,3-4H2,1-2H3
InChIKeyQEEFTSGVHSXSGD-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.48
Rot. Bonds5

About ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate

ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate (PubChem CID 22425101) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
PubChem CID22425101
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC)c2c1
InChIInChI=1S/C20H19NO3/c1-3-23-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(12-16(17)19)20(22)24-4-2/h5-13H,3-4H2,1-2H3
InChIKeyQEEFTSGVHSXSGD-UHFFFAOYSA-N
XLogP4.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298759
ethyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298771
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298757
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298787
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
4-ethoxy-2-phenylquinoline
CID 14954061
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate (CID 22425101) is ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC)c2c1.
What is the InChIKey of ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate?
The InChIKey is QEEFTSGVHSXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-23-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(12-16(17)19)20(22)24-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate?
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate is sourced from PubChem (CID 22425101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).