5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one

C20H24N2O5 — CID 54396009

IUPAC5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC(O)COc1ccc(O)c2c1CCC(=O)N2)Oc1ccccc1
InChIInChI=1S/C20H24N2O5/c1-2-22(27-15-6-4-3-5-7-15)12-14(23)13-26-18-10-9-17(24)20-16(18)8-11-19(25)21-20/h3-7,9-10,14,23-24H,2,8,11-13H2,1H3,(H,21,25)
InChIKeyVJZNNLUQXCQZHX-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.33
Rot. Bonds8

About 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one

5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 54396009) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID54396009
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC(O)COc1ccc(O)c2c1CCC(=O)N2)Oc1ccccc1
InChIInChI=1S/C20H24N2O5/c1-2-22(27-15-6-4-3-5-7-15)12-14(23)13-26-18-10-9-17(24)20-16(18)8-11-19(25)21-20/h3-7,9-10,14,23-24H,2,8,11-13H2,1H3,(H,21,25)
InChIKeyVJZNNLUQXCQZHX-UHFFFAOYSA-N
XLogP2.33
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 54396009) is 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one is CCN(CC(O)COc1ccc(O)c2c1CCC(=O)N2)Oc1ccccc1.
What is the InChIKey of 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VJZNNLUQXCQZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-2-22(27-15-6-4-3-5-7-15)12-14(23)13-26-18-10-9-17(24)20-16(18)8-11-19(25)21-20/h3-7,9-10,14,23-24H,2,8,11-13H2,1H3,(H,21,25).
What are the key properties of 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 372.42 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 54396009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).