2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C16H23NO — CID 112762126

IUPAC2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C16H23NO/c1-4-13(5-2)16(18)17-10-6-7-14-11-12(3)8-9-15(14)17/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyUXBIUNMCMKKPBX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.71
Rot. Bonds3

About 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 112762126) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID112762126
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C16H23NO/c1-4-13(5-2)16(18)17-10-6-7-14-11-12(3)8-9-15(14)17/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyUXBIUNMCMKKPBX-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
CID 76926455
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-ethylbutan-1-one
CID 82258967
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474
1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634824
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116674604
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 112762126) is 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCCc2cc(C)ccc21.
What is the InChIKey of 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is UXBIUNMCMKKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-13(5-2)16(18)17-10-6-7-14-11-12(3)8-9-15(14)17/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 112762126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).