1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C13H17NO — CID 128707688

IUPAC1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)c2cccc(C)c21
InChIInChI=1S/C13H17NO/c1-9-7-8-14(11(3)15)13-10(2)5-4-6-12(9)13/h4-6,9H,7-8H2,1-3H3
InChIKeyQJQAVMHDEIZPPI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.86
Rot. Bonds

About 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 128707688) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID128707688
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)c2cccc(C)c21
InChIInChI=1S/C13H17NO/c1-9-7-8-14(11(3)15)13-10(2)5-4-6-12(9)13/h4-6,9H,7-8H2,1-3H3
InChIKeyQJQAVMHDEIZPPI-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 128707688) is 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)N1CCC(C)c2cccc(C)c21.
What is the InChIKey of 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is QJQAVMHDEIZPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-7-8-14(11(3)15)13-10(2)5-4-6-12(9)13/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 128707688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).