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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Related Compounds

ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584151
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258
ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584118
ethyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 23941344
ethyl 4-methyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15011883
ethyl 4-ethyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 166450039
ethyl (4S)-4-methyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 829422
ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate
CID 4251598
ethyl 2-butylimino-4,6-diphenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 135475281
ethyl (7S)-5,7-diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 693619
diethyl 4-(2-benzofuran-1-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67113712
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150

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).