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

C18H27ClN2O3 — CID 23287800

IUPAC5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCCCOc1cc(CN2CCCCC2)c(O)c2c1NC(=O)CC2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-2-10-23-15-11-13(12-20-8-4-3-5-9-20)18(22)14-6-7-16(21)19-17(14)15;/h11,22H,2-10,12H2,1H3,(H,19,21);1H
InChIKeyIPFDLQMINQKTFP-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.47
Rot. Bonds5

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

5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 23287800) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID23287800
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCCCOc1cc(CN2CCCCC2)c(O)c2c1NC(=O)CC2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-2-10-23-15-11-13(12-20-8-4-3-5-9-20)18(22)14-6-7-16(21)19-17(14)15;/h11,22H,2-10,12H2,1H3,(H,19,21);1H
InChIKeyIPFDLQMINQKTFP-UHFFFAOYSA-N
XLogP3.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 23287800) is 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CCCOc1cc(CN2CCCCC2)c(O)c2c1NC(=O)CC2.Cl.
What is the InChIKey of 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is IPFDLQMINQKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-2-10-23-15-11-13(12-20-8-4-3-5-9-20)18(22)14-6-7-16(21)19-17(14)15;/h11,22H,2-10,12H2,1H3,(H,19,21);1H.
What are the key properties of 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(piperidin-1-ylmethyl)-8-propoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 23287800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).