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

C13H18N2O2 — CID 55091829

IUPAC1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C13H18N2O2/c1-17-8-6-13(16)15-7-2-3-10-4-5-11(14)9-12(10)15/h4-5,9H,2-3,6-8,14H2,1H3
InChIKeyAKKNIZSHRHRQLE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.58
Rot. Bonds3

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

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one (PubChem CID 55091829) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
PubChem CID55091829
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C13H18N2O2/c1-17-8-6-13(16)15-7-2-3-10-4-5-11(14)9-12(10)15/h4-5,9H,2-3,6-8,14H2,1H3
InChIKeyAKKNIZSHRHRQLE-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
CID 78984493
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
1-(6-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205513
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide
CID 62264814
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
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

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one (CID 55091829) is 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one?
The InChIKey is AKKNIZSHRHRQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-8-6-13(16)15-7-2-3-10-4-5-11(14)9-12(10)15/h4-5,9H,2-3,6-8,14H2,1H3.
What are the key properties of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one?
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 55091829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).