3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one

C17H28N2O — CID 82522286

IUPAC3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNCc1cc2c(n(CCC(C)C)c1=O)CCCC2
InChIInChI=1S/C17H28N2O/c1-4-18-12-15-11-14-7-5-6-8-16(14)19(17(15)20)10-9-13(2)3/h11,13,18H,4-10,12H2,1-3H3
InChIKeyLRFMJXKRHWMFJF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.88
Rot. Bonds6

About 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one

3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522286) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522286
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNCc1cc2c(n(CCC(C)C)c1=O)CCCC2
InChIInChI=1S/C17H28N2O/c1-4-18-12-15-11-14-7-5-6-8-16(14)19(17(15)20)10-9-13(2)3/h11,13,18H,4-10,12H2,1-3H3
InChIKeyLRFMJXKRHWMFJF-UHFFFAOYSA-N
XLogP2.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

3-acetyl-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522270
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
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-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523355
[2-[[1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]phenyl] acetate
CID 67519748
3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 82189202
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
3-(1-butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
CID 82522396

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 82522286) is 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one is CCNCc1cc2c(n(CCC(C)C)c1=O)CCCC2.
What is the InChIKey of 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is LRFMJXKRHWMFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-12-15-11-14-7-5-6-8-16(14)19(17(15)20)10-9-13(2)3/h11,13,18H,4-10,12H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 276.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).