methyl 3-phenylquinoline-5-carboxylate

C17H13NO2 — CID 15789216

IUPACmethyl 3-phenylquinoline-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C17H13NO2/c1-20-17(19)14-8-5-9-16-15(14)10-13(11-18-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyQKYIUFLJZSTLBH-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.69
Rot. Bonds2

About methyl 3-phenylquinoline-5-carboxylate

methyl 3-phenylquinoline-5-carboxylate (PubChem CID 15789216) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 3-phenylquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenylquinoline-5-carboxylate
PubChem CID15789216
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Namemethyl 3-phenylquinoline-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C17H13NO2/c1-20-17(19)14-8-5-9-16-15(14)10-13(11-18-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyQKYIUFLJZSTLBH-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylquinoline-5-carboxamide
CID 19033241
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
methyl acridine-1-carboxylate
CID 54560619
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
5-chloro-3-phenylquinoline
CID 102190493
methyl 2-(1-phenylisoquinolin-4-yl)benzoate
CID 147957016
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
1-(3-methoxyquinolin-5-yl)ethanone
CID 67065394
3-ethylquinoline-5-carboxylic acid
CID 119085659
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate
CID 57078179

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenylquinoline-5-carboxylate?
The IUPAC name of methyl 3-phenylquinoline-5-carboxylate (CID 15789216) is methyl 3-phenylquinoline-5-carboxylate.
What is the SMILES notation for methyl 3-phenylquinoline-5-carboxylate?
The canonical SMILES for methyl 3-phenylquinoline-5-carboxylate is COC(=O)c1cccc2ncc(-c3ccccc3)cc12.
What is the InChIKey of methyl 3-phenylquinoline-5-carboxylate?
The InChIKey is QKYIUFLJZSTLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-20-17(19)14-8-5-9-16-15(14)10-13(11-18-16)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of methyl 3-phenylquinoline-5-carboxylate?
methyl 3-phenylquinoline-5-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenylquinoline-5-carboxylate is sourced from PubChem (CID 15789216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).