methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate

C17H17NO2 — CID 11492698

IUPACmethyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCOC(=O)C1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-17(19)16-12-11-13-7-5-6-10-15(13)18(16)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
InChIKeyNWZJYIASXHCISW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.31
Rot. Bonds2

About methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate

methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate (PubChem CID 11492698) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
PubChem CID11492698
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCOC(=O)C1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-17(19)16-12-11-13-7-5-6-10-15(13)18(16)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
InChIKeyNWZJYIASXHCISW-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-heptyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 142683779
(2S)-N-hydroxy-1-phenyl-2,3-dihydroindole-2-carboxamide
CID 99983793
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261094
methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
CID 132918901
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
CID 141103843
2-(2-ethylphenyl)-5-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 70528351
(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate
CID 139668318
methyl (2S)-1-(1-phenylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95345888
methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate
CID 70955528
methyl (4S)-1-tert-butyl-3-phenyl-2-phenylimino-1,3-diazinane-4-carboxylate
CID 10361490
methyl 1-(5-ethoxy-4,4-dimethyl-5-oxopentanoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 70530029

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The IUPAC name of methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate (CID 11492698) is methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The canonical SMILES for methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate is COC(=O)C1CCc2ccccc2N1c1ccccc1.
What is the InChIKey of methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The InChIKey is NWZJYIASXHCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)16-12-11-13-7-5-6-10-15(13)18(16)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3.
What are the key properties of methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate?
methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate is sourced from PubChem (CID 11492698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).