6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one

C15H22N2O — CID 82926292

IUPAC6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
SMILESCCC(CC)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C15H22N2O/c1-3-11(4-2)10-17-14-7-6-13(16)9-12(14)5-8-15(17)18/h6-7,9,11H,3-5,8,10,16H2,1-2H3
InChIKeyGWCMXYAXAFCTQQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds4

About 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one

6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one (PubChem CID 82926292) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
PubChem CID82926292
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
SMILESCCC(CC)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C15H22N2O/c1-3-11(4-2)10-17-14-7-6-13(16)9-12(14)5-8-15(17)18/h6-7,9,11H,3-5,8,10,16H2,1-2H3
InChIKeyGWCMXYAXAFCTQQ-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one (CID 82926292) is 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one is CCC(CC)CN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is GWCMXYAXAFCTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11(4-2)10-17-14-7-6-13(16)9-12(14)5-8-15(17)18/h6-7,9,11H,3-5,8,10,16H2,1-2H3.
What are the key properties of 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82926292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).