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

C17H24N2O2 — CID 103161498

IUPAC1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCCc3cc(N)ccc32)C1
InChIInChI=1S/C17H24N2O2/c1-2-21-15-8-12(9-15)10-17(20)19-7-3-4-13-11-14(18)5-6-16(13)19/h5-6,11-12,15H,2-4,7-10,18H2,1H3
InChIKeyHHZZXYQCEGCTHS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.75
Rot. Bonds4

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

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103161498) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103161498
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCCc3cc(N)ccc32)C1
InChIInChI=1S/C17H24N2O2/c1-2-21-15-8-12(9-15)10-17(20)19-7-3-4-13-11-14(18)5-6-16(13)19/h5-6,11-12,15H,2-4,7-10,18H2,1H3
InChIKeyHHZZXYQCEGCTHS-UHFFFAOYSA-N
XLogP2.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.75
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-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
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
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119685868
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785717
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103161498) is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CCCc3cc(N)ccc32)C1.
What is the InChIKey of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is HHZZXYQCEGCTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-15-8-12(9-15)10-17(20)19-7-3-4-13-11-14(18)5-6-16(13)19/h5-6,11-12,15H,2-4,7-10,18H2,1H3.
What are the key properties of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.75, 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-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103161498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).