1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one

C17H25NO — CID 18735430

IUPAC1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1Cc2ccccc2N(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C17H25NO/c1-5-13-10-14-8-6-7-9-15(14)18(12-13)16(19)11-17(2,3)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyBZNFITSPSBYIEZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.04
Rot. Bonds2

About 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one

1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 18735430) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID18735430
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1Cc2ccccc2N(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C17H25NO/c1-5-13-10-14-8-6-7-9-15(14)18(12-13)16(19)11-17(2,3)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyBZNFITSPSBYIEZ-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one (CID 18735430) is 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one is CCC1Cc2ccccc2N(C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is BZNFITSPSBYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-13-10-14-8-6-7-9-15(14)18(12-13)16(19)11-17(2,3)4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 259.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 18735430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).