3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C13H19NO — CID 19595343

IUPAC3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCCCc1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C13H19NO/c1-2-3-6-10-9-14-12-8-5-4-7-11(12)13(10)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyZAFJPFYQZZYAGZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds3

About 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 19595343) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID19595343
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCCCc1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C13H19NO/c1-2-3-6-10-9-14-12-8-5-4-7-11(12)13(10)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyZAFJPFYQZZYAGZ-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,5,6,7,8-Hexahydroquinolin-4-one
CID 17989211
7,8-Dihydroquinoline-4,5(1H,6H)-dione
CID 14978493
5-Oxo-1,4,5,6,7,8-hexahydroquinoline
CID 14993948
1,4,5,6,7,8-Hexahydro-3-quinolinecarboxamide
CID 129873189
(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582997
(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583505
(5R,8R)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583537
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 11240977
2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 13634553
(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 102089569
(2R)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 130641489

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 19595343) is 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is CCCCc1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is ZAFJPFYQZZYAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-6-10-9-14-12-8-5-4-7-11(12)13(10)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 205.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 19595343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).