methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate

C18H13ClFNO3 — CID 53112967

IUPACmethyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C18H13ClFNO3/c1-23-18(22)16-9-17(13-4-2-3-5-15(13)21-16)24-10-11-6-7-12(20)8-14(11)19/h2-9H,10H2,1H3
InChIKeyXIKDCFLKUUYBOE-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.39
Rot. Bonds4

About methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate

methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate (PubChem CID 53112967) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
PubChem CID53112967
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Namemethyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C18H13ClFNO3/c1-23-18(22)16-9-17(13-4-2-3-5-15(13)21-16)24-10-11-6-7-12(20)8-14(11)19/h2-9H,10H2,1H3
InChIKeyXIKDCFLKUUYBOE-UHFFFAOYSA-N
XLogP4.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]-2-[(2-fluorophenyl)methylsulfanyl]quinoline-3-carboxylate
CID 20942109
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907385
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 20942137
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate (CID 53112967) is methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCc2ccc(F)cc2Cl)c2ccccc2n1.
What is the InChIKey of methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate?
The InChIKey is XIKDCFLKUUYBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c1-23-18(22)16-9-17(13-4-2-3-5-15(13)21-16)24-10-11-6-7-12(20)8-14(11)19/h2-9H,10H2,1H3.
What are the key properties of methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate?
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate has a molecular weight of 345.76 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53112967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).