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

Analyze methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate
CID 22424947
methyl 2-bromo-6-phenylbenzoate
CID 13352656
(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene
CID 143094564
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 4-(hydroxymethyl)-2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 132543458
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
(2,6-diphenylphenyl) methyl carbonate
CID 121292231
methyl 2-isocyano-3-phenylbenzoate
CID 71497474
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate
CID 10443789

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).