1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C12H16N2O — CID 28707153

IUPAC1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H16N2O/c1-2-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3
InChIKeyFHXQZHXXDAXQKS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.96
Rot. Bonds1

About 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 28707153) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID28707153
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H16N2O/c1-2-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3
InChIKeyFHXQZHXXDAXQKS-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82263716
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205924

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 28707153) is 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CCC(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is FHXQZHXXDAXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 28707153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).