6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

C14H20N2O2 — CID 23287797

IUPAC6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC)Cc1ccc2c(c1O)CCC(=O)N2
InChIInChI=1S/C14H20N2O2/c1-3-16(4-2)9-10-5-7-12-11(14(10)18)6-8-13(17)15-12/h5,7,18H,3-4,6,8-9H2,1-2H3,(H,15,17)
InChIKeyHYPXJPBMVYMNDG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.12
Rot. Bonds4

About 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 23287797) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID23287797
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC)Cc1ccc2c(c1O)CCC(=O)N2
InChIInChI=1S/C14H20N2O2/c1-3-16(4-2)9-10-5-7-12-11(14(10)18)6-8-13(17)15-12/h5,7,18H,3-4,6,8-9H2,1-2H3,(H,15,17)
InChIKeyHYPXJPBMVYMNDG-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 23287797) is 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is CCN(CC)Cc1ccc2c(c1O)CCC(=O)N2.
What is the InChIKey of 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HYPXJPBMVYMNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(4-2)9-10-5-7-12-11(14(10)18)6-8-13(17)15-12/h5,7,18H,3-4,6,8-9H2,1-2H3,(H,15,17).
What are the key properties of 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 23287797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).