2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate

C21H21NO3 — CID 8896472

IUPAC2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate
SMILESCCc1cccc(OCCOC(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C21H21NO3/c1-3-16-7-6-8-17(14-16)24-11-12-25-21(23)19-13-15(2)22-20-10-5-4-9-18(19)20/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyUDOWJJGMULMVNE-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.34
Rot. Bonds6

About 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate

2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate (PubChem CID 8896472) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate
PubChem CID8896472
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate
SMILESCCc1cccc(OCCOC(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C21H21NO3/c1-3-16-7-6-8-17(14-16)24-11-12-25-21(23)19-13-15(2)22-20-10-5-4-9-18(19)20/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyUDOWJJGMULMVNE-UHFFFAOYSA-N
XLogP4.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
benzyl 2-methylquinoline-4-carboxylate
CID 804130
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
2-(3-ethylphenoxy)ethyl 2-methylsulfonylbenzoate
CID 55310389
2-(3-ethylphenoxy)ethyl 2-nitrobenzoate
CID 55319024
2-(3-bromophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4008929
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
CID 55338836
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate (CID 8896472) is 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate is CCc1cccc(OCCOC(=O)c2cc(C)nc3ccccc23)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate?
The InChIKey is UDOWJJGMULMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-16-7-6-8-17(14-16)24-11-12-25-21(23)19-13-15(2)22-20-10-5-4-9-18(19)20/h4-10,13-14H,3,11-12H2,1-2H3.
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate?
2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 8896472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).