methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate

C17H15NO2 — CID 68720790

IUPACmethyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate
SMILESCOC(=O)C1=CCc2c(cccc2-c2ccccc2)N1
InChIInChI=1S/C17H15NO2/c1-20-17(19)16-11-10-14-13(8-5-9-15(14)18-16)12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3
InChIKeyCICYTMCILXYYBV-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.38
Rot. Bonds2

About methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate

methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate (PubChem CID 68720790) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate
PubChem CID68720790
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate
SMILESCOC(=O)C1=CCc2c(cccc2-c2ccccc2)N1
InChIInChI=1S/C17H15NO2/c1-20-17(19)16-11-10-14-13(8-5-9-15(14)18-16)12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3
InChIKeyCICYTMCILXYYBV-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate?
The IUPAC name of methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate (CID 68720790) is methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate is COC(=O)C1=CCc2c(cccc2-c2ccccc2)N1.
What is the InChIKey of methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate?
The InChIKey is CICYTMCILXYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-17(19)16-11-10-14-13(8-5-9-15(14)18-16)12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3.
What are the key properties of methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate?
methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate is sourced from PubChem (CID 68720790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).