Methyl 2-phenyl-4-quinolinecarboxylate - CAS 4546-48-9

Catalog:	BB025873
Product Name:	Methyl 2-phenyl-4-quinolinecarboxylate
CAS:	4546-48-9
Synonyms:	methyl 2-phenylquinoline-4-carboxylate

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Computed Properties

IUPAC Name:	methyl 2-phenylquinoline-4-carboxylate
Description:	Methyl 2-phenyl-4-quinolinecarboxylate (CAS# 4546-48-9) is a useful research chemical.
Molecular Weight:	263.29
Molecular Formula:	C17H13NO2
Canonical SMILES:	COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI:	InChI=1S/C17H13NO2/c1-20-17(19)14-11-16(12-7-3-2-4-8-12)18-15-10-6-5-9-13(14)15/h2-11H,1H3
InChI Key:	FDNMMBMNYRTPLC-UHFFFAOYSA-N
Boiling Point:	430.8 °C at 760 mmHg
Density:	1.197 g/cm³
MDL:	MFCD00006749
LogP:	3.68840

Publication Number	Title	Priority Date
CN-112048734-A	Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic acid	20200911
US-2018142144-A1	Luminogenic transition metal-based pyridyl complex and its use	20161123
US-10759994-B2	Luminogenic transition metal-based pyridyl complex and its use	20161123
CN-106187885-A	The method that a kind of copper oxide collaborative cyclopentadienyl zirconium bisgallic acid system efficiently prepares poly-substituted quinoline	20160725
CN-106187885-B	A kind of method that the luxuriant zirconium bisgallic acid system of copper oxide collaboration efficiently prepares poly-substituted quinoline	20160725

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Related Functional Groups

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[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[13676-02-3]
2-Chloro-6-methoxyquinoline
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.094628657
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7