1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone

C17H19ClN2O2 — CID 58368485

IUPAC1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone
SMILESCOC1CCCN(c2c(C(C)=O)cc(Cl)c3cccnc23)C1
InChIInChI=1S/C17H19ClN2O2/c1-11(21)14-9-15(18)13-6-3-7-19-16(13)17(14)20-8-4-5-12(10-20)22-2/h3,6-7,9,12H,4-5,8,10H2,1-2H3
InChIKeyGNBAOBQLBQCEQM-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.71
Rot. Bonds3

About 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone

1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone (PubChem CID 58368485) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone
PubChem CID58368485
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone
SMILESCOC1CCCN(c2c(C(C)=O)cc(Cl)c3cccnc23)C1
InChIInChI=1S/C17H19ClN2O2/c1-11(21)14-9-15(18)13-6-3-7-19-16(13)17(14)20-8-4-5-12(10-20)22-2/h3,6-7,9,12H,4-5,8,10H2,1-2H3
InChIKeyGNBAOBQLBQCEQM-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone?
The IUPAC name of 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone (CID 58368485) is 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone?
The canonical SMILES for 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone is COC1CCCN(c2c(C(C)=O)cc(Cl)c3cccnc23)C1.
What is the InChIKey of 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone?
The InChIKey is GNBAOBQLBQCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11(21)14-9-15(18)13-6-3-7-19-16(13)17(14)20-8-4-5-12(10-20)22-2/h3,6-7,9,12H,4-5,8,10H2,1-2H3.
What are the key properties of 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone?
1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone has a molecular weight of 318.80 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone is sourced from PubChem (CID 58368485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).