3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

C16H24N2O — CID 82050719

IUPAC3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H24N2O/c1-3-18(4-2)11-9-16(19)14-7-8-15-13(12-14)6-5-10-17-15/h7-8,12,17H,3-6,9-11H2,1-2H3
InChIKeyKMSXVAVVAZYJDH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds6

About 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (PubChem CID 82050719) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
PubChem CID82050719
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H24N2O/c1-3-18(4-2)11-9-16(19)14-7-8-15-13(12-14)6-5-10-17-15/h7-8,12,17H,3-6,9-11H2,1-2H3
InChIKeyKMSXVAVVAZYJDH-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325599
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 103023537
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60936689
2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256335

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (CID 82050719) is 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is CCN(CC)CCC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The InChIKey is KMSXVAVVAZYJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(4-2)11-9-16(19)14-7-8-15-13(12-14)6-5-10-17-15/h7-8,12,17H,3-6,9-11H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is sourced from PubChem (CID 82050719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).