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

C15H22N2O — CID 114873454

IUPAC1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C15H22N2O/c1-3-11(2)9-15(18)17-8-4-5-12-10-13(16)6-7-14(12)17/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeyFWZGXRXRJMQLDX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds3

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

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one (PubChem CID 114873454) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
PubChem CID114873454
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C15H22N2O/c1-3-11(2)9-15(18)17-8-4-5-12-10-13(16)6-7-14(12)17/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeyFWZGXRXRJMQLDX-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.98
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-(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
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 82341227
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498
6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785717
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one (CID 114873454) is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one is CCC(C)CC(=O)N1CCCc2cc(N)ccc21.
What is the InChIKey of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one?
The InChIKey is FWZGXRXRJMQLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11(2)9-15(18)17-8-4-5-12-10-13(16)6-7-14(12)17/h6-7,10-11H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one?
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.98, 3 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)-3-methylpentan-1-one is sourced from PubChem (CID 114873454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).