methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate

C19H16FNO2 — CID 19063711

IUPACmethyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate
SMILESCOC(=O)CCc1ccc2ncc(-c3cccc(F)c3)cc2c1
InChIInChI=1S/C19H16FNO2/c1-23-19(22)8-6-13-5-7-18-15(9-13)10-16(12-21-18)14-3-2-4-17(20)11-14/h2-5,7,9-12H,6,8H2,1H3
InChIKeyCCTJFBBMYZHLPM-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.15
Rot. Bonds4

About methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate

methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate (PubChem CID 19063711) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate
PubChem CID19063711
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Namemethyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate
SMILESCOC(=O)CCc1ccc2ncc(-c3cccc(F)c3)cc2c1
InChIInChI=1S/C19H16FNO2/c1-23-19(22)8-6-13-5-7-18-15(9-13)10-16(12-21-18)14-3-2-4-17(20)11-14/h2-5,7,9-12H,6,8H2,1H3
InChIKeyCCTJFBBMYZHLPM-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
CID 53465785
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
methyl 4-quinolin-6-ylbutanoate
CID 116997352
methyl 2-fluoro-4-[3-[[3-(3-fluorophenyl)quinolin-6-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzoate
CID 141370367
3-(3-fluorophenyl)-6-thiophen-3-ylquinoline
CID 18788569
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
methyl 3-(4-ethenyl-3-fluorophenyl)propanoate
CID 167531141
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
methyl 3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 91113479
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate?
The IUPAC name of methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate (CID 19063711) is methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate?
The canonical SMILES for methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate is COC(=O)CCc1ccc2ncc(-c3cccc(F)c3)cc2c1.
What is the InChIKey of methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate?
The InChIKey is CCTJFBBMYZHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-23-19(22)8-6-13-5-7-18-15(9-13)10-16(12-21-18)14-3-2-4-17(20)11-14/h2-5,7,9-12H,6,8H2,1H3.
What are the key properties of methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate?
methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate has a molecular weight of 309.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-fluorophenyl)quinolin-6-yl]propanoate is sourced from PubChem (CID 19063711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).