1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C12H16N2O — CID 82506712

IUPAC1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2c(CN)cccc21
InChIInChI=1S/C12H16N2O/c1-9(15)14-7-3-5-11-10(8-13)4-2-6-12(11)14/h2,4,6H,3,5,7-8,13H2,1H3
InChIKeyQNQFNQKXEKDJHX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.44
Rot. Bonds1

About 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 82506712) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID82506712
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2c(CN)cccc21
InChIInChI=1S/C12H16N2O/c1-9(15)14-7-3-5-11-10(8-13)4-2-6-12(11)14/h2,4,6H,3,5,7-8,13H2,1H3
InChIKeyQNQFNQKXEKDJHX-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone
CID 16639782
1-(6-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 82396564
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 82506712) is 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2c(CN)cccc21.
What is the InChIKey of 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is QNQFNQKXEKDJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)14-7-3-5-11-10(8-13)4-2-6-12(11)14/h2,4,6H,3,5,7-8,13H2,1H3.
What are the key properties of 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 82506712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).