1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one

C15H24N2O — CID 82522595

IUPAC1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCNCc1cc2c(n(CC)c1=O)CCCC2
InChIInChI=1S/C15H24N2O/c1-3-9-16-11-13-10-12-7-5-6-8-14(12)17(4-2)15(13)18/h10,16H,3-9,11H2,1-2H3
InChIKeyNBMFGLSXMYDLJQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds5

About 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one

1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522595) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522595
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCNCc1cc2c(n(CC)c1=O)CCCC2
InChIInChI=1S/C15H24N2O/c1-3-9-16-11-13-10-12-7-5-6-8-14(12)17(4-2)15(13)18/h10,16H,3-9,11H2,1-2H3
InChIKeyNBMFGLSXMYDLJQ-UHFFFAOYSA-N
XLogP2.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523355
3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522286
3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 112547546
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbaldehyde
CID 89153702
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 82522595) is 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCCNCc1cc2c(n(CC)c1=O)CCCC2.
What is the InChIKey of 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is NBMFGLSXMYDLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-9-16-11-13-10-12-7-5-6-8-14(12)17(4-2)15(13)18/h10,16H,3-9,11H2,1-2H3.
What are the key properties of 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).