5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

C16H22N2O2 — CID 23287798

IUPAC5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(CN2CCCCC2)c(O)c2c1NC(=O)CC2
InChIInChI=1S/C16H22N2O2/c1-11-9-12(10-18-7-3-2-4-8-18)16(20)13-5-6-14(19)17-15(11)13/h9,20H,2-8,10H2,1H3,(H,17,19)
InChIKeyLFZKDDCFDBJZCB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.57
Rot. Bonds2

About 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 23287798) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID23287798
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(CN2CCCCC2)c(O)c2c1NC(=O)CC2
InChIInChI=1S/C16H22N2O2/c1-11-9-12(10-18-7-3-2-4-8-18)16(20)13-5-6-14(19)17-15(11)13/h9,20H,2-8,10H2,1H3,(H,17,19)
InChIKeyLFZKDDCFDBJZCB-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.57
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 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 23287798) is 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(CN2CCCCC2)c(O)c2c1NC(=O)CC2.
What is the InChIKey of 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LFZKDDCFDBJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-12(10-18-7-3-2-4-8-18)16(20)13-5-6-14(19)17-15(11)13/h9,20H,2-8,10H2,1H3,(H,17,19).
What are the key properties of 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 23287798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).