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

C17H24N2O — CID 82707005

IUPAC1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
SMILESNc1cccc2c1CCCN2C(=O)CC1CCCCC1
InChIInChI=1S/C17H24N2O/c18-15-9-4-10-16-14(15)8-5-11-19(16)17(20)12-13-6-2-1-3-7-13/h4,9-10,13H,1-3,5-8,11-12,18H2
InChIKeyTYCOVTIZGSVBQP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.52
Rot. Bonds2

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

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone (PubChem CID 82707005) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
PubChem CID82707005
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
SMILESNc1cccc2c1CCCN2C(=O)CC1CCCCC1
InChIInChI=1S/C17H24N2O/c18-15-9-4-10-16-14(15)8-5-11-19(16)17(20)12-13-6-2-1-3-7-13/h4,9-10,13H,1-3,5-8,11-12,18H2
InChIKeyTYCOVTIZGSVBQP-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.52
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

1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
CID 114458473
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(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)-(1-methylcyclohexyl)methanone
CID 106828103
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone (CID 82707005) is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone is Nc1cccc2c1CCCN2C(=O)CC1CCCCC1.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone?
The InChIKey is TYCOVTIZGSVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-15-9-4-10-16-14(15)8-5-11-19(16)17(20)12-13-6-2-1-3-7-13/h4,9-10,13H,1-3,5-8,11-12,18H2.
What are the key properties of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone?
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone has a molecular weight of 272.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone is sourced from PubChem (CID 82707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).