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

C11H14N2O — CID 59657880

IUPAC1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CCC(N)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(14)13-7-6-10(12)9-4-2-3-5-11(9)13/h2-5,10H,6-7,12H2,1H3
InChIKeyUBTOHKCMZLCVOK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.44
Rot. Bonds

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

1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 59657880) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID59657880
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CCC(N)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(14)13-7-6-10(12)9-4-2-3-5-11(9)13/h2-5,10H,6-7,12H2,1H3
InChIKeyUBTOHKCMZLCVOK-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 59657880) is 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)N1CCC(N)c2ccccc21.
What is the InChIKey of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is UBTOHKCMZLCVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(14)13-7-6-10(12)9-4-2-3-5-11(9)13/h2-5,10H,6-7,12H2,1H3.
What are the key properties of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 190.25 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 59657880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).