1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone

C14H20N2O2 — CID 107937337

IUPAC1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O2/c1-2-8-18-10-14(17)16-7-3-4-11-9-12(15)5-6-13(11)16/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyZCLQSSVQBQARNS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds4

About 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone (PubChem CID 107937337) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
PubChem CID107937337
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O2/c1-2-8-18-10-14(17)16-7-3-4-11-9-12(15)5-6-13(11)16/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyZCLQSSVQBQARNS-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785717
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264180
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone?
The IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone (CID 107937337) is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone?
The canonical SMILES for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone is CCCOCC(=O)N1CCCc2cc(N)ccc21.
What is the InChIKey of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone?
The InChIKey is ZCLQSSVQBQARNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-8-18-10-14(17)16-7-3-4-11-9-12(15)5-6-13(11)16/h5-6,9H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone?
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone has a molecular weight of 248.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone is sourced from PubChem (CID 107937337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).