1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone

C15H15NO — CID 67105776

IUPAC1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(C3(C)CC3)ccc2c1
InChIInChI=1S/C15H15NO/c1-10(17)11-3-5-13-12(9-11)4-6-14(16-13)15(2)7-8-15/h3-6,9H,7-8H2,1-2H3
InChIKeyZGEYKFXUKKECGO-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.49
Rot. Bonds2

About 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone

1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone (PubChem CID 67105776) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone
PubChem CID67105776
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(C3(C)CC3)ccc2c1
InChIInChI=1S/C15H15NO/c1-10(17)11-3-5-13-12(9-11)4-6-14(16-13)15(2)7-8-15/h3-6,9H,7-8H2,1-2H3
InChIKeyZGEYKFXUKKECGO-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone?
The IUPAC name of 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone (CID 67105776) is 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone is CC(=O)c1ccc2nc(C3(C)CC3)ccc2c1.
What is the InChIKey of 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone?
The InChIKey is ZGEYKFXUKKECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10(17)11-3-5-13-12(9-11)4-6-14(16-13)15(2)7-8-15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone?
1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone has a molecular weight of 225.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone is sourced from PubChem (CID 67105776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).