3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

C14H19NO2 — CID 82522519

IUPAC3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(cc(C(C)=O)c1=O)CCCC2
InChIInChI=1S/C14H19NO2/c1-3-8-15-13-7-5-4-6-11(13)9-12(10(2)16)14(15)17/h9H,3-8H2,1-2H3
InChIKeyXGYOSIUAUDVYLC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds3

About 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522519) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522519
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(cc(C(C)=O)c1=O)CCCC2
InChIInChI=1S/C14H19NO2/c1-3-8-15-13-7-5-4-6-11(13)9-12(10(2)16)14(15)17/h9H,3-8H2,1-2H3
InChIKeyXGYOSIUAUDVYLC-UHFFFAOYSA-N
XLogP2.34
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522270
3-(piperazine-1-carbonyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522532
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515
3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522716
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587743
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82522950

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (CID 82522519) is 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is CCCn1c2c(cc(C(C)=O)c1=O)CCCC2.
What is the InChIKey of 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is XGYOSIUAUDVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-8-15-13-7-5-4-6-11(13)9-12(10(2)16)14(15)17/h9H,3-8H2,1-2H3.
What are the key properties of 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).