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

C15H22N2O2 — CID 43449981

IUPAC7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CC(C)Oc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H22N2O2/c1-9(2)6-10(3)19-14-7-11-4-5-15(18)17-13(11)8-12(14)16/h7-10H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyBZWMVZCEKRGYJL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.97
Rot. Bonds4

About 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449981) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449981
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CC(C)Oc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H22N2O2/c1-9(2)6-10(3)19-14-7-11-4-5-15(18)17-13(11)8-12(14)16/h7-10H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyBZWMVZCEKRGYJL-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(1-ethoxypropan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 103486501
7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43382899
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 43449975
7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 116800289
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one (CID 43449981) is 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one is CC(C)CC(C)Oc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BZWMVZCEKRGYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)6-10(3)19-14-7-11-4-5-15(18)17-13(11)8-12(14)16/h7-10H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).