4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one

C19H23N3O3 — CID 15599430

IUPAC4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)N(C1CCCC1)C(=O)C(C)O2
InChIInChI=1S/C19H23N3O3/c1-11-9-17(23)20-21-18(11)13-7-8-16-15(10-13)22(14-5-3-4-6-14)19(24)12(2)25-16/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyKFAKFQMLQYKMLO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.60
Rot. Bonds2

About 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one

4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (PubChem CID 15599430) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
PubChem CID15599430
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)N(C1CCCC1)C(=O)C(C)O2
InChIInChI=1S/C19H23N3O3/c1-11-9-17(23)20-21-18(11)13-7-8-16-15(10-13)22(14-5-3-4-6-14)19(24)12(2)25-16/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyKFAKFQMLQYKMLO-UHFFFAOYSA-N
XLogP2.60
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (CID 15599430) is 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is CC1CC(=O)NN=C1c1ccc2c(c1)N(C1CCCC1)C(=O)C(C)O2.
What is the InChIKey of 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The InChIKey is KFAKFQMLQYKMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-9-17(23)20-21-18(11)13-7-8-16-15(10-13)22(14-5-3-4-6-14)19(24)12(2)25-16/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,20,23).
What are the key properties of 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 15599430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).