1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one

C15H20N2O2 — CID 82341570

IUPAC1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C15H20N2O2/c1-11(18)17-9-3-4-12-5-6-13(10-14(12)17)15(19)7-8-16-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyWMNXSQVIPNGLDE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds4

About 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one

1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one (PubChem CID 82341570) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
PubChem CID82341570
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C15H20N2O2/c1-11(18)17-9-3-4-12-5-6-13(10-14(12)17)15(19)7-8-16-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyWMNXSQVIPNGLDE-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 19108439
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one (CID 82341570) is 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one is CNCCC(=O)c1ccc2c(c1)N(C(C)=O)CCC2.
What is the InChIKey of 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one?
The InChIKey is WMNXSQVIPNGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)17-9-3-4-12-5-6-13(10-14(12)17)15(19)7-8-16-2/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one?
1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 82341570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).