5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

C24H32N2O7 — CID 12751772

IUPAC5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc(OCC(O)CNCCOc2ccc(OC)cc2)c2c1NC(=O)CC2
InChIInChI=1S/C24H32N2O7/c1-29-13-14-32-22-9-8-21(20-7-10-23(28)26-24(20)22)33-16-17(27)15-25-11-12-31-19-5-3-18(30-2)4-6-19/h3-6,8-9,17,25,27H,7,10-16H2,1-2H3,(H,26,28)
InChIKeyKALQGYKEOSBWJO-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.01
Rot. Bonds14

About 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12751772) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID12751772
Molecular FormulaC24H32N2O7
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC Name5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc(OCC(O)CNCCOc2ccc(OC)cc2)c2c1NC(=O)CC2
InChIInChI=1S/C24H32N2O7/c1-29-13-14-32-22-9-8-21(20-7-10-23(28)26-24(20)22)33-16-17(27)15-25-11-12-31-19-5-3-18(30-2)4-6-19/h3-6,8-9,17,25,27H,7,10-16H2,1-2H3,(H,26,28)
InChIKeyKALQGYKEOSBWJO-UHFFFAOYSA-N
XLogP2.01
TPSA107.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 12751772) is 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is COCCOc1ccc(OCC(O)CNCCOc2ccc(OC)cc2)c2c1NC(=O)CC2.
What is the InChIKey of 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KALQGYKEOSBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-29-13-14-32-22-9-8-21(20-7-10-23(28)26-24(20)22)33-16-17(27)15-25-11-12-31-19-5-3-18(30-2)4-6-19/h3-6,8-9,17,25,27H,7,10-16H2,1-2H3,(H,26,28).
What are the key properties of 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 460.53 g/mol, XLogP of 2.01, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-8-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12751772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).