3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one

C13H18N2O4 — CID 77353209

IUPAC3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one
SMILESCOCC(C)Oc1ccc2c(c1)N(O)C(=O)C(N)C2
InChIInChI=1S/C13H18N2O4/c1-8(7-18-2)19-10-4-3-9-5-11(14)13(16)15(17)12(9)6-10/h3-4,6,8,11,17H,5,7,14H2,1-2H3
InChIKeyQGEZZOCZCRMNJM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one

3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one (PubChem CID 77353209) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one
PubChem CID77353209
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one
SMILESCOCC(C)Oc1ccc2c(c1)N(O)C(=O)C(N)C2
InChIInChI=1S/C13H18N2O4/c1-8(7-18-2)19-10-4-3-9-5-11(14)13(16)15(17)12(9)6-10/h3-4,6,8,11,17H,5,7,14H2,1-2H3
InChIKeyQGEZZOCZCRMNJM-UHFFFAOYSA-N
XLogP0.71
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one (CID 77353209) is 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one is COCC(C)Oc1ccc2c(c1)N(O)C(=O)C(N)C2.
What is the InChIKey of 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one?
The InChIKey is QGEZZOCZCRMNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(7-18-2)19-10-4-3-9-5-11(14)13(16)15(17)12(9)6-10/h3-4,6,8,11,17H,5,7,14H2,1-2H3.
What are the key properties of 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one?
3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one has a molecular weight of 266.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-7-(1-methoxypropan-2-yloxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 77353209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).