ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate

C21H20FNO3 — CID 170330860

IUPACethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate
SMILESCCOC(=O)CCc1cc(-c2cccc(OC)c2)nc2ccc(F)cc12
InChIInChI=1S/C21H20FNO3/c1-3-26-21(24)10-7-14-12-20(15-5-4-6-17(11-15)25-2)23-19-9-8-16(22)13-18(14)19/h4-6,8-9,11-13H,3,7,10H2,1-2H3
InChIKeyOOMZUEJRPHKYOU-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.55
Rot. Bonds6

About ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate

ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate (PubChem CID 170330860) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate
PubChem CID170330860
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Nameethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate
SMILESCCOC(=O)CCc1cc(-c2cccc(OC)c2)nc2ccc(F)cc12
InChIInChI=1S/C21H20FNO3/c1-3-26-21(24)10-7-14-12-20(15-5-4-6-17(11-15)25-2)23-19-9-8-16(22)13-18(14)19/h4-6,8-9,11-13H,3,7,10H2,1-2H3
InChIKeyOOMZUEJRPHKYOU-UHFFFAOYSA-N
XLogP4.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
ethyl 4-[[6-fluoro-2-[4-[3-(trifluoromethyl)phenyl]phenyl]quinolin-4-yl]amino]butanoate
CID 70327593
4-butyl-6-fluoro-2-phenylquinoline
CID 141464456
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline
CID 143088699
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
ethyl 3-amino-4-[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]-3-methylbutanoate
CID 70327779
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
CID 170330558
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate?
The IUPAC name of ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate (CID 170330860) is ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate?
The canonical SMILES for ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate is CCOC(=O)CCc1cc(-c2cccc(OC)c2)nc2ccc(F)cc12.
What is the InChIKey of ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate?
The InChIKey is OOMZUEJRPHKYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-3-26-21(24)10-7-14-12-20(15-5-4-6-17(11-15)25-2)23-19-9-8-16(22)13-18(14)19/h4-6,8-9,11-13H,3,7,10H2,1-2H3.
What are the key properties of ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate?
ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate has a molecular weight of 353.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate is sourced from PubChem (CID 170330860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).