1-[2-(cyclopropylamino)quinolin-5-yl]ethanone

C14H14N2O — CID 70964841

IUPAC1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
SMILESCC(=O)c1cccc2nc(NC3CC3)ccc12
InChIInChI=1S/C14H14N2O/c1-9(17)11-3-2-4-13-12(11)7-8-14(16-13)15-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,15,16)
InChIKeyWSFZPPPVNGOWNS-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.01
Rot. Bonds3

About 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone

1-[2-(cyclopropylamino)quinolin-5-yl]ethanone (PubChem CID 70964841) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
PubChem CID70964841
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
SMILESCC(=O)c1cccc2nc(NC3CC3)ccc12
InChIInChI=1S/C14H14N2O/c1-9(17)11-3-2-4-13-12(11)7-8-14(16-13)15-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,15,16)
InChIKeyWSFZPPPVNGOWNS-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone?
The IUPAC name of 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone (CID 70964841) is 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone?
The canonical SMILES for 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone is CC(=O)c1cccc2nc(NC3CC3)ccc12.
What is the InChIKey of 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone?
The InChIKey is WSFZPPPVNGOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(17)11-3-2-4-13-12(11)7-8-14(16-13)15-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,15,16).
What are the key properties of 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone?
1-[2-(cyclopropylamino)quinolin-5-yl]ethanone has a molecular weight of 226.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)quinolin-5-yl]ethanone is sourced from PubChem (CID 70964841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).