1-(8-pentan-3-ylquinolin-4-yl)ethanone

C16H19NO — CID 135254596

IUPAC1-(8-pentan-3-ylquinolin-4-yl)ethanone
SMILESCCC(CC)c1cccc2c(C(C)=O)ccnc12
InChIInChI=1S/C16H19NO/c1-4-12(5-2)14-7-6-8-15-13(11(3)18)9-10-17-16(14)15/h6-10,12H,4-5H2,1-3H3
InChIKeyBWJFMHMMIANDID-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.34
Rot. Bonds4

About 1-(8-pentan-3-ylquinolin-4-yl)ethanone

1-(8-pentan-3-ylquinolin-4-yl)ethanone (PubChem CID 135254596) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(8-pentan-3-ylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-pentan-3-ylquinolin-4-yl)ethanone
PubChem CID135254596
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(8-pentan-3-ylquinolin-4-yl)ethanone
SMILESCCC(CC)c1cccc2c(C(C)=O)ccnc12
InChIInChI=1S/C16H19NO/c1-4-12(5-2)14-7-6-8-15-13(11(3)18)9-10-17-16(14)15/h6-10,12H,4-5H2,1-3H3
InChIKeyBWJFMHMMIANDID-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-pentan-3-ylquinolin-4-yl)ethanone?
The IUPAC name of 1-(8-pentan-3-ylquinolin-4-yl)ethanone (CID 135254596) is 1-(8-pentan-3-ylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-pentan-3-ylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-pentan-3-ylquinolin-4-yl)ethanone is CCC(CC)c1cccc2c(C(C)=O)ccnc12.
What is the InChIKey of 1-(8-pentan-3-ylquinolin-4-yl)ethanone?
The InChIKey is BWJFMHMMIANDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-12(5-2)14-7-6-8-15-13(11(3)18)9-10-17-16(14)15/h6-10,12H,4-5H2,1-3H3.
What are the key properties of 1-(8-pentan-3-ylquinolin-4-yl)ethanone?
1-(8-pentan-3-ylquinolin-4-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-pentan-3-ylquinolin-4-yl)ethanone is sourced from PubChem (CID 135254596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).