methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate

C18H13ClFNO3 — CID 53113123

IUPACmethyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2Cl)c2cc(F)ccc2n1
InChIInChI=1S/C18H13ClFNO3/c1-23-18(22)16-9-17(13-8-12(20)6-7-15(13)21-16)24-10-11-4-2-3-5-14(11)19/h2-9H,10H2,1H3
InChIKeyCVMBOLCMCBCRSF-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.39
Rot. Bonds4

About methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate

methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate (PubChem CID 53113123) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
PubChem CID53113123
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Namemethyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2Cl)c2cc(F)ccc2n1
InChIInChI=1S/C18H13ClFNO3/c1-23-18(22)16-9-17(13-8-12(20)6-7-15(13)21-16)24-10-11-4-2-3-5-14(11)19/h2-9H,10H2,1H3
InChIKeyCVMBOLCMCBCRSF-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

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Related Compounds

methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112967
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
methyl 4-[2-(4-bromophenoxy)ethoxy]-6-fluoroquinoline-2-carboxylate
CID 11281563
methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113099
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
CID 53248940
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113121

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate (CID 53113123) is methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate is COC(=O)c1cc(OCc2ccccc2Cl)c2cc(F)ccc2n1.
What is the InChIKey of methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate?
The InChIKey is CVMBOLCMCBCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c1-23-18(22)16-9-17(13-8-12(20)6-7-15(13)21-16)24-10-11-4-2-3-5-14(11)19/h2-9H,10H2,1H3.
What are the key properties of methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate?
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-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-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 53113123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).