1-(6-pyrrol-1-ylquinolin-3-yl)ethanone

C15H12N2O — CID 174711717

IUPAC1-(6-pyrrol-1-ylquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2ccc(-n3cccc3)cc2c1
InChIInChI=1S/C15H12N2O/c1-11(18)13-8-12-9-14(17-6-2-3-7-17)4-5-15(12)16-10-13/h2-10H,1H3
InChIKeyUWSPLVJZUKBZNV-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.23
Rot. Bonds2

About 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone

1-(6-pyrrol-1-ylquinolin-3-yl)ethanone (PubChem CID 174711717) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-pyrrol-1-ylquinolin-3-yl)ethanone
PubChem CID174711717
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(6-pyrrol-1-ylquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2ccc(-n3cccc3)cc2c1
InChIInChI=1S/C15H12N2O/c1-11(18)13-8-12-9-14(17-6-2-3-7-17)4-5-15(12)16-10-13/h2-10H,1H3
InChIKeyUWSPLVJZUKBZNV-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone?
The IUPAC name of 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone (CID 174711717) is 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone is CC(=O)c1cnc2ccc(-n3cccc3)cc2c1.
What is the InChIKey of 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone?
The InChIKey is UWSPLVJZUKBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11(18)13-8-12-9-14(17-6-2-3-7-17)4-5-15(12)16-10-13/h2-10H,1H3.
What are the key properties of 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone?
1-(6-pyrrol-1-ylquinolin-3-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrol-1-ylquinolin-3-yl)ethanone is sourced from PubChem (CID 174711717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).