ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

C19H16ClNO4 — CID 46884043

IUPACethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C19H16ClNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyLWEMFPJHVREVBZ-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.03
Rot. Bonds4

About ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 46884043) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID46884043
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Nameethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C19H16ClNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyLWEMFPJHVREVBZ-UHFFFAOYSA-N
XLogP4.03
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Elvitegravir
CID 5277135
Nequinate
CID 26383
Elq-300
CID 67016608
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Butyl-4-hydroxy-3-methoxycarbonyl-7-beta-phenoxyethoxyquinoline
CID 193550
(R)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 44219916
6-chloro-3-heptyl-7-methoxy-2-methyl-1H-quinolin-4-one
CID 49781247
ethyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 132553883
methyl 4-oxo-6-pentyl-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877888
methyl 6-ethyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877891
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 6-chloro-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 46884043) is ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is LWEMFPJHVREVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 357.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 46884043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).