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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Related Compounds

5-Amino-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10263358
6-Amino-1-ethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 84618285
3-(2-oxo-5,6,7,8-tetrahydro-1(2H)-quinolinyl)propanenitrile
CID 2817317
N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-Butyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169241
1-Butyl-3-methyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169243
1-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-2(1H)-one
CID 132966354
1-Isopropyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10104400
1-Heptyl-5-methylpyridin-2-one
CID 84314475
1,4-dimethyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 5247676
1-Butyl-3-chloro-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169242
4H-Quinolizin-4-one, 2,3,6,7-tetrahydro-9-methyl-
CID 45088796

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).