ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate

C17H21NO5 — CID 142034622

IUPACethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate
SMILESCCOC(=O)c1cc2c(C)cc(=O)n(C)c2cc1OCCOC
InChIInChI=1S/C17H21NO5/c1-5-22-17(20)13-9-12-11(2)8-16(19)18(3)14(12)10-15(13)23-7-6-21-4/h8-10H,5-7H2,1-4H3
InChIKeyGYTIVUCVLAVYIR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.05
Rot. Bonds6

About ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate

ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate (PubChem CID 142034622) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate
PubChem CID142034622
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate
SMILESCCOC(=O)c1cc2c(C)cc(=O)n(C)c2cc1OCCOC
InChIInChI=1S/C17H21NO5/c1-5-22-17(20)13-9-12-11(2)8-16(19)18(3)14(12)10-15(13)23-7-6-21-4/h8-10H,5-7H2,1-4H3
InChIKeyGYTIVUCVLAVYIR-UHFFFAOYSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate
CID 101102266
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate
CID 134845959
ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate
CID 11186961
ethyl 4-[3-cyano-6-(2-methoxyethoxy)indol-1-yl]-2-(methoxymethoxy)benzoate
CID 58437255
ethyl 2-(carbamothioylamino)-4,5-bis(2-methoxyethoxy)benzoate
CID 169356168
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
CID 11079114
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate?
The IUPAC name of ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate (CID 142034622) is ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate.
What is the SMILES notation for ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate?
The canonical SMILES for ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate is CCOC(=O)c1cc2c(C)cc(=O)n(C)c2cc1OCCOC.
What is the InChIKey of ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate?
The InChIKey is GYTIVUCVLAVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-5-22-17(20)13-9-12-11(2)8-16(19)18(3)14(12)10-15(13)23-7-6-21-4/h8-10H,5-7H2,1-4H3.
What are the key properties of ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate?
ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate is sourced from PubChem (CID 142034622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).