6-amino-1-propyl-3,4-dihydroquinolin-2-one

C12H16N2O — CID 43446598

IUPAC6-amino-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C12H16N2O/c1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyWUMCZVXYJVHZQR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.96
Rot. Bonds2

About 6-amino-1-propyl-3,4-dihydroquinolin-2-one

6-amino-1-propyl-3,4-dihydroquinolin-2-one (PubChem CID 43446598) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-amino-1-propyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-propyl-3,4-dihydroquinolin-2-one
PubChem CID43446598
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-amino-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C12H16N2O/c1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyWUMCZVXYJVHZQR-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.96
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-propyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-propyl-3,4-dihydroquinolin-2-one (CID 43446598) is 6-amino-1-propyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-propyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-propyl-3,4-dihydroquinolin-2-one is CCCN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-propyl-3,4-dihydroquinolin-2-one?
The InChIKey is WUMCZVXYJVHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 6-amino-1-propyl-3,4-dihydroquinolin-2-one?
6-amino-1-propyl-3,4-dihydroquinolin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43446598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).