4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one

C14H15N5O2 — CID 15079185

IUPAC4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one
SMILESCC1CC(=O)NN=C1c1ccc2c(N)n(C)c(=O)nc2c1
InChIInChI=1S/C14H15N5O2/c1-7-5-11(20)17-18-12(7)8-3-4-9-10(6-8)16-14(21)19(2)13(9)15/h3-4,6-7H,5,15H2,1-2H3,(H,17,20)
InChIKeyDVFYRWZOHHLCRE-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.38
Rot. Bonds1

About 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one

4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one (PubChem CID 15079185) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one
PubChem CID15079185
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one
SMILESCC1CC(=O)NN=C1c1ccc2c(N)n(C)c(=O)nc2c1
InChIInChI=1S/C14H15N5O2/c1-7-5-11(20)17-18-12(7)8-3-4-9-10(6-8)16-14(21)19(2)13(9)15/h3-4,6-7H,5,15H2,1-2H3,(H,17,20)
InChIKeyDVFYRWZOHHLCRE-UHFFFAOYSA-N
XLogP0.38
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one?
The IUPAC name of 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one (CID 15079185) is 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one.
What is the SMILES notation for 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one?
The canonical SMILES for 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one is CC1CC(=O)NN=C1c1ccc2c(N)n(C)c(=O)nc2c1.
What is the InChIKey of 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one?
The InChIKey is DVFYRWZOHHLCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-7-5-11(20)17-18-12(7)8-3-4-9-10(6-8)16-14(21)19(2)13(9)15/h3-4,6-7H,5,15H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one?
4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one has a molecular weight of 285.31 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-2-one is sourced from PubChem (CID 15079185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).