2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate

C19H16ClNO3 — CID 7351431

IUPAC2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCCOc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C19H16ClNO3/c1-13-12-17(16-4-2-3-5-18(16)21-13)19(22)24-11-10-23-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3
InChIKeyFXTBTWJQTFGMCU-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.43
Rot. Bonds5

About 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate

2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate (PubChem CID 7351431) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
PubChem CID7351431
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCCOc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C19H16ClNO3/c1-13-12-17(16-4-2-3-5-18(16)21-13)19(22)24-11-10-23-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3
InChIKeyFXTBTWJQTFGMCU-UHFFFAOYSA-N
XLogP4.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.43
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-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 8896472
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
2-(4-chlorophenoxy)ethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3916137
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
benzyl 2-methylquinoline-4-carboxylate
CID 804130
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5239858
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484413
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate (CID 7351431) is 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCCOc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate?
The InChIKey is FXTBTWJQTFGMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-13-12-17(16-4-2-3-5-18(16)21-13)19(22)24-11-10-23-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate?
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 7351431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).