methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate

C19H16FNO3 — CID 53248940

IUPACmethyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2OC)nc2ccc(F)cc12
InChIInChI=1S/C19H16FNO3/c1-23-18-6-4-3-5-12(18)9-14-11-16(19(22)24-2)15-10-13(20)7-8-17(15)21-14/h3-8,10-11H,9H2,1-2H3
InChIKeyLWSBSOKRBMQOPC-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.76
Rot. Bonds4

About methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate

methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate (PubChem CID 53248940) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
PubChem CID53248940
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Namemethyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2OC)nc2ccc(F)cc12
InChIInChI=1S/C19H16FNO3/c1-23-18-6-4-3-5-12(18)9-14-11-16(19(22)24-2)15-10-13(20)7-8-17(15)21-14/h3-8,10-11H,9H2,1-2H3
InChIKeyLWSBSOKRBMQOPC-UHFFFAOYSA-N
XLogP3.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate?
The IUPAC name of methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate (CID 53248940) is methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate is COC(=O)c1cc(Cc2ccccc2OC)nc2ccc(F)cc12.
What is the InChIKey of methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate?
The InChIKey is LWSBSOKRBMQOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-23-18-6-4-3-5-12(18)9-14-11-16(19(22)24-2)15-10-13(20)7-8-17(15)21-14/h3-8,10-11H,9H2,1-2H3.
What are the key properties of methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate?
methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate is sourced from PubChem (CID 53248940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).