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

C15H20N2O — CID 103161499

IUPAC1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
SMILESNc1ccc2c(c1)CCCN2C(=O)CC1CCC1
InChIInChI=1S/C15H20N2O/c16-13-6-7-14-12(10-13)5-2-8-17(14)15(18)9-11-3-1-4-11/h6-7,10-11H,1-5,8-9,16H2
InChIKeyCBCLHJJKXYMTEM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds2

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

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone (PubChem CID 103161499) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
PubChem CID103161499
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
SMILESNc1ccc2c(c1)CCCN2C(=O)CC1CCC1
InChIInChI=1S/C15H20N2O/c16-13-6-7-14-12(10-13)5-2-8-17(14)15(18)9-11-3-1-4-11/h6-7,10-11H,1-5,8-9,16H2
InChIKeyCBCLHJJKXYMTEM-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.74
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-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167985111
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
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone?
The IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone (CID 103161499) is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone?
The canonical SMILES for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone is Nc1ccc2c(c1)CCCN2C(=O)CC1CCC1.
What is the InChIKey of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone?
The InChIKey is CBCLHJJKXYMTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-13-6-7-14-12(10-13)5-2-8-17(14)15(18)9-11-3-1-4-11/h6-7,10-11H,1-5,8-9,16H2.
What are the key properties of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone?
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone has a molecular weight of 244.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone is sourced from PubChem (CID 103161499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).