1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone

C16H17ClN2O — CID 58368621

IUPAC1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone
SMILESCC(=O)c1cc(Cl)c2cccnc2c1N1CCCCC1
InChIInChI=1S/C16H17ClN2O/c1-11(20)13-10-14(17)12-6-5-7-18-15(12)16(13)19-8-3-2-4-9-19/h5-7,10H,2-4,8-9H2,1H3
InChIKeyROMZRSABJPXDEP-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.08
Rot. Bonds2

About 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone

1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone (PubChem CID 58368621) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone
PubChem CID58368621
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone
SMILESCC(=O)c1cc(Cl)c2cccnc2c1N1CCCCC1
InChIInChI=1S/C16H17ClN2O/c1-11(20)13-10-14(17)12-6-5-7-18-15(12)16(13)19-8-3-2-4-9-19/h5-7,10H,2-4,8-9H2,1H3
InChIKeyROMZRSABJPXDEP-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone?
The IUPAC name of 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone (CID 58368621) is 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone?
The canonical SMILES for 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone is CC(=O)c1cc(Cl)c2cccnc2c1N1CCCCC1.
What is the InChIKey of 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone?
The InChIKey is ROMZRSABJPXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(20)13-10-14(17)12-6-5-7-18-15(12)16(13)19-8-3-2-4-9-19/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone?
1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone has a molecular weight of 288.78 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanone is sourced from PubChem (CID 58368621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).