Methyl 1,4-Dihydro-7-Methoxy-4-Oxo-6-Quinolinecarboxylate

CAS: 205448-65-3 | C12H11NO4

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CAS Registry Number: 205448-65-3

Molecular Formula: C12H11NO4

Molecular Mass: 233.22 g/mol

Methyl 1,4-Dihydro-7-Methoxy-4-Oxo-6-Quinolinecarboxylate

6-Quinolinecarboxylic acid, 1,4-dihydro-7-methoxy-4-oxo-, methyl ester

Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate

7-Methoxy-6-(methoxycarbonyl)-1,4-dihydroquinolin-4-one

Methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate

COC(=O)c1cc2c(=O)cc[nH]c2cc1OC

InChI=1S/C12H11NO4/c1-16-11-6-9-7(10(14)3-4-13-9)5-8(11)12(15)17-2/h3-6H,1-2H3,(H,13,14)

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	233.22 g/mol	CAS Common Chemistry
	233.223 g/mol	RDKit
	233.068807832 g/mol	RDKit
Canonical SMILES	O=C(OC)C=1C=C2C(=O)C=CNC2=CC1OC	CAS Common Chemistry
InChI	InChI=1S/C12H11NO4/c1-16-11-6-9-7(10(14)3-4-13-9)5-8(11)12(15)17-2/h3-6H,1-2H3,(H,13,14)	CAS Common Chemistry
InChI Key	InChIKey=TYKSVPGCVLNVIO-UHFFFAOYSA-N	CAS Common Chemistry
Name	Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate	CAS Common Chemistry
Heavy Atom Count	17	RDKit
Hydrogen Bond Acceptors	4	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	68.39 Å²	RDKit
LogP	1.3233	RDKit
Molar Refractivity	62.46020000000003	RDKit