1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one

C15H23NO — CID 13169244

IUPAC1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(cc(CC)c1=O)CCCC2
InChIInChI=1S/C15H23NO/c1-3-5-10-16-14-9-7-6-8-13(14)11-12(4-2)15(16)17/h11H,3-10H2,1-2H3
InChIKeyHXGALMZJGIPOKT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.09
Rot. Bonds4

About 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one

1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 13169244) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID13169244
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(cc(CC)c1=O)CCCC2
InChIInChI=1S/C15H23NO/c1-3-5-10-16-14-9-7-6-8-13(14)11-12(4-2)15(16)17/h11H,3-10H2,1-2H3
InChIKeyHXGALMZJGIPOKT-UHFFFAOYSA-N
XLogP3.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one (CID 13169244) is 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one is CCCCn1c2c(cc(CC)c1=O)CCCC2.
What is the InChIKey of 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is HXGALMZJGIPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-10-16-14-9-7-6-8-13(14)11-12(4-2)15(16)17/h11H,3-10H2,1-2H3.
What are the key properties of 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one?
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 13169244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).