1-(4-aminoquinolin-2-yl)nonan-1-one

C18H24N2O — CID 116603523

IUPAC1-(4-aminoquinolin-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-2-3-4-5-6-7-12-18(21)17-13-15(19)14-10-8-9-11-16(14)20-17/h8-11,13H,2-7,12H2,1H3,(H2,19,20)
InChIKeyJNPJXCZTDKXAQJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.75
Rot. Bonds8

About 1-(4-aminoquinolin-2-yl)nonan-1-one

1-(4-aminoquinolin-2-yl)nonan-1-one (PubChem CID 116603523) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-aminoquinolin-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-(4-aminoquinolin-2-yl)nonan-1-one
PubChem CID116603523
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-aminoquinolin-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-2-3-4-5-6-7-12-18(21)17-13-15(19)14-10-8-9-11-16(14)20-17/h8-11,13H,2-7,12H2,1H3,(H2,19,20)
InChIKeyJNPJXCZTDKXAQJ-UHFFFAOYSA-N
XLogP4.75
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoquinolin-2-yl)nonan-1-one?
The IUPAC name of 1-(4-aminoquinolin-2-yl)nonan-1-one (CID 116603523) is 1-(4-aminoquinolin-2-yl)nonan-1-one.
What is the SMILES notation for 1-(4-aminoquinolin-2-yl)nonan-1-one?
The canonical SMILES for 1-(4-aminoquinolin-2-yl)nonan-1-one is CCCCCCCCC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 1-(4-aminoquinolin-2-yl)nonan-1-one?
The InChIKey is JNPJXCZTDKXAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-4-5-6-7-12-18(21)17-13-15(19)14-10-8-9-11-16(14)20-17/h8-11,13H,2-7,12H2,1H3,(H2,19,20).
What are the key properties of 1-(4-aminoquinolin-2-yl)nonan-1-one?
1-(4-aminoquinolin-2-yl)nonan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoquinolin-2-yl)nonan-1-one is sourced from PubChem (CID 116603523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).