3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one

C15H14N6O3 — CID 68781016

IUPAC3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one
SMILESCc1cnc2ncnn2c1Oc1ccc2c(c1)CC(N)C(=O)N2O
InChIInChI=1S/C15H14N6O3/c1-8-6-17-15-18-7-19-20(15)14(8)24-10-2-3-12-9(4-10)5-11(16)13(22)21(12)23/h2-4,6-7,11,23H,5,16H2,1H3
InChIKeyDBJUSZULOMFYCZ-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.83
Rot. Bonds2

About 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one

3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one (PubChem CID 68781016) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one
PubChem CID68781016
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one
SMILESCc1cnc2ncnn2c1Oc1ccc2c(c1)CC(N)C(=O)N2O
InChIInChI=1S/C15H14N6O3/c1-8-6-17-15-18-7-19-20(15)14(8)24-10-2-3-12-9(4-10)5-11(16)13(22)21(12)23/h2-4,6-7,11,23H,5,16H2,1H3
InChIKeyDBJUSZULOMFYCZ-UHFFFAOYSA-N
XLogP0.83
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one (CID 68781016) is 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one is Cc1cnc2ncnn2c1Oc1ccc2c(c1)CC(N)C(=O)N2O.
What is the InChIKey of 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one?
The InChIKey is DBJUSZULOMFYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-8-6-17-15-18-7-19-20(15)14(8)24-10-2-3-12-9(4-10)5-11(16)13(22)21(12)23/h2-4,6-7,11,23H,5,16H2,1H3.
What are the key properties of 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one?
3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one has a molecular weight of 326.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-6-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68781016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).