2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone

C16H17NO — CID 103168015

IUPAC2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
SMILESCc1ccc2cc(C(=O)CC3CCC3)ccc2n1
InChIInChI=1S/C16H17NO/c1-11-5-6-13-10-14(7-8-15(13)17-11)16(18)9-12-3-2-4-12/h5-8,10,12H,2-4,9H2,1H3
InChIKeyKRRDMFMWENRDCF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.92
Rot. Bonds3

About 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone

2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone (PubChem CID 103168015) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
PubChem CID103168015
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
SMILESCc1ccc2cc(C(=O)CC3CCC3)ccc2n1
InChIInChI=1S/C16H17NO/c1-11-5-6-13-10-14(7-8-15(13)17-11)16(18)9-12-3-2-4-12/h5-8,10,12H,2-4,9H2,1H3
InChIKeyKRRDMFMWENRDCF-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone (CID 103168015) is 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone is Cc1ccc2cc(C(=O)CC3CCC3)ccc2n1.
What is the InChIKey of 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone?
The InChIKey is KRRDMFMWENRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-5-6-13-10-14(7-8-15(13)17-11)16(18)9-12-3-2-4-12/h5-8,10,12H,2-4,9H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone?
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone is sourced from PubChem (CID 103168015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).