1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one

C21H34N2O — CID 145281113

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one
SMILESCNCCC(C)(C)CC(C)(C)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H34N2O/c1-20(2,12-13-22-5)16-21(3,4)15-19(24)23-14-8-10-17-9-6-7-11-18(17)23/h6-7,9,11,22H,8,10,12-16H2,1-5H3
InChIKeyJFGLBDQYIMGNDW-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.41
Rot. Bonds7

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one (PubChem CID 145281113) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one
PubChem CID145281113
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one
SMILESCNCCC(C)(C)CC(C)(C)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H34N2O/c1-20(2,12-13-22-5)16-21(3,4)15-19(24)23-14-8-10-17-9-6-7-11-18(17)23/h6-7,9,11,22H,8,10,12-16H2,1-5H3
InChIKeyJFGLBDQYIMGNDW-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one with MolForge

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Related Compounds

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1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
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1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
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CID 68969181
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one (CID 145281113) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one is CNCCC(C)(C)CC(C)(C)CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one?
The InChIKey is JFGLBDQYIMGNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-20(2,12-13-22-5)16-21(3,4)15-19(24)23-14-8-10-17-9-6-7-11-18(17)23/h6-7,9,11,22H,8,10,12-16H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one has a molecular weight of 330.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one is sourced from PubChem (CID 145281113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).