1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one

C13H18N2O2 — CID 112706569

IUPAC1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C13H18N2O2/c1-9(17-2)13(16)15-8-4-5-10-11(14)6-3-7-12(10)15/h3,6-7,9H,4-5,8,14H2,1-2H3
InChIKeyGCJSCTVHCHZVDU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.58
Rot. Bonds2

About 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one (PubChem CID 112706569) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
PubChem CID112706569
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C13H18N2O2/c1-9(17-2)13(16)15-8-4-5-10-11(14)6-3-7-12(10)15/h3,6-7,9H,4-5,8,14H2,1-2H3
InChIKeyGCJSCTVHCHZVDU-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
CID 82705400
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 116658696
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
CID 113341665
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 103866804

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one (CID 112706569) is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCCc2c(N)cccc21.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one?
The InChIKey is GCJSCTVHCHZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(17-2)13(16)15-8-4-5-10-11(14)6-3-7-12(10)15/h3,6-7,9H,4-5,8,14H2,1-2H3.
What are the key properties of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one?
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 112706569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).