3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride

C14H19ClN2O2 — CID 139776608

IUPAC3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
SMILESCCC(N)(OC1=CCNc2ccccc21)C(C)=O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-14(15,10(2)17)18-13-8-9-16-12-7-5-4-6-11(12)13;/h4-8,16H,3,9,15H2,1-2H3;1H
InChIKeyDFZKKYLGWNURKT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.55
Rot. Bonds4

About 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride

3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride (PubChem CID 139776608) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
PubChem CID139776608
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
SMILESCCC(N)(OC1=CCNc2ccccc21)C(C)=O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-14(15,10(2)17)18-13-8-9-16-12-7-5-4-6-11(12)13;/h4-8,16H,3,9,15H2,1-2H3;1H
InChIKeyDFZKKYLGWNURKT-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroquinoline-4-carbothioamide
CID 54517373
4-(trifluoromethyl)-1,2-dihydroquinoline
CID 145013105
methyl (2E)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)butanoate
CID 102390150
N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 117062220
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide
CID 135622886
3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide
CID 174519781
N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
CID 154340640
diethyl (3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)butanedioate
CID 139078132
N,N-diethylethanamine;ethane;1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 91563720
ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
CID 135536636
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride?
The IUPAC name of 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride (CID 139776608) is 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride?
The canonical SMILES for 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride is CCC(N)(OC1=CCNc2ccccc21)C(C)=O.Cl.
What is the InChIKey of 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride?
The InChIKey is DFZKKYLGWNURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-3-14(15,10(2)17)18-13-8-9-16-12-7-5-4-6-11(12)13;/h4-8,16H,3,9,15H2,1-2H3;1H.
What are the key properties of 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride?
3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride is sourced from PubChem (CID 139776608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).