1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride

C14H20ClFN2O — CID 119718833

IUPAC1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
SMILESCNCCCC(=O)N1CCCc2cc(F)ccc21.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-8-2-5-14(18)17-9-3-4-11-10-12(15)6-7-13(11)17;/h6-7,10,16H,2-5,8-9H2,1H3;1H
InChIKeyWOJZCQRWFZQYIK-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.53
Rot. Bonds4

About 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride

1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride (PubChem CID 119718833) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
PubChem CID119718833
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
SMILESCNCCCC(=O)N1CCCc2cc(F)ccc21.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-8-2-5-14(18)17-9-3-4-11-10-12(15)6-7-13(11)17;/h6-7,10,16H,2-5,8-9H2,1H3;1H
InChIKeyWOJZCQRWFZQYIK-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55614499
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 60555290
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride (CID 119718833) is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride is CNCCCC(=O)N1CCCc2cc(F)ccc21.Cl.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride?
The InChIKey is WOJZCQRWFZQYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-16-8-2-5-14(18)17-9-3-4-11-10-12(15)6-7-13(11)17;/h6-7,10,16H,2-5,8-9H2,1H3;1H.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride?
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride is sourced from PubChem (CID 119718833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).