ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate

C24H21NO2 — CID 25136014

IUPACethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-2-27-24(26)22-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)25-23(22)18-13-7-4-8-14-18/h3-16,21,25H,2H2,1H3
InChIKeyLFRZSGOXGGLUPM-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.22
Rot. Bonds4

About ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate

ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate (PubChem CID 25136014) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
PubChem CID25136014
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Nameethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-2-27-24(26)22-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)25-23(22)18-13-7-4-8-14-18/h3-16,21,25H,2H2,1H3
InChIKeyLFRZSGOXGGLUPM-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate (CID 25136014) is ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2ccccc2C1c1ccccc1.
What is the InChIKey of ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate?
The InChIKey is LFRZSGOXGGLUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-27-24(26)22-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)25-23(22)18-13-7-4-8-14-18/h3-16,21,25H,2H2,1H3.
What are the key properties of ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate?
ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 25136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).