ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate

C24H25FN2O3 — CID 156537965

IUPACethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3cc(-c4ccc(OC)c(F)c4)ccc3n2)CC1
InChIInChI=1S/C24H25FN2O3/c1-3-30-24(28)16-10-12-27(13-11-16)23-9-6-19-14-17(4-7-21(19)26-23)18-5-8-22(29-2)20(25)15-18/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyGGOCRHQPNFRLBC-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.83
Rot. Bonds5

About ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate

ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate (PubChem CID 156537965) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate
PubChem CID156537965
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Nameethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3cc(-c4ccc(OC)c(F)c4)ccc3n2)CC1
InChIInChI=1S/C24H25FN2O3/c1-3-30-24(28)16-10-12-27(13-11-16)23-9-6-19-14-17(4-7-21(19)26-23)18-5-8-22(29-2)20(25)15-18/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyGGOCRHQPNFRLBC-UHFFFAOYSA-N
XLogP4.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate (CID 156537965) is ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc3cc(-c4ccc(OC)c(F)c4)ccc3n2)CC1.
What is the InChIKey of ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate?
The InChIKey is GGOCRHQPNFRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-3-30-24(28)16-10-12-27(13-11-16)23-9-6-19-14-17(4-7-21(19)26-23)18-5-8-22(29-2)20(25)15-18/h4-9,14-16H,3,10-13H2,1-2H3.
What are the key properties of ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate?
ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate has a molecular weight of 408.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(3-fluoro-4-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 156537965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).