methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate

C19H17NO5 — CID 140877893

IUPACmethyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(OCCOc3ccccc3)ccc2c1=O
InChIInChI=1S/C19H17NO5/c1-23-19(22)16-12-20-17-11-14(7-8-15(17)18(16)21)25-10-9-24-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyIYAKZGCKOMZSNQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.77
Rot. Bonds6

About methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate

methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate (PubChem CID 140877893) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
PubChem CID140877893
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(OCCOc3ccccc3)ccc2c1=O
InChIInChI=1S/C19H17NO5/c1-23-19(22)16-12-20-17-11-14(7-8-15(17)18(16)21)25-10-9-24-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyIYAKZGCKOMZSNQ-UHFFFAOYSA-N
XLogP2.77
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Decoquinate
CID 29112
Nequinate
CID 26383
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 1476756
Buquinolate
CID 21651
Ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 228284
Cyproquinate
CID 29636
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Butyl-4-hydroxy-3-methoxycarbonyl-7-beta-phenoxyethoxyquinoline
CID 193550
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925756
ethyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 132553883

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate (CID 140877893) is methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2cc(OCCOc3ccccc3)ccc2c1=O.
What is the InChIKey of methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
The InChIKey is IYAKZGCKOMZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-19(22)16-12-20-17-11-14(7-8-15(17)18(16)21)25-10-9-24-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 140877893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).