3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide

C20H20N4O4 — CID 156608868

IUPAC3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NC2CCOCC2Oc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-24-20(26)14-7-3-2-6-13(14)18(23-24)19(25)22-15-9-11-27-12-16(15)28-17-8-4-5-10-21-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,22,25)
InChIKeyIUOFRUQHQGAYJZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.29
Rot. Bonds4

About 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide (PubChem CID 156608868) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
PubChem CID156608868
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NC2CCOCC2Oc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-24-20(26)14-7-3-2-6-13(14)18(23-24)19(25)22-15-9-11-27-12-16(15)28-17-8-4-5-10-21-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,22,25)
InChIKeyIUOFRUQHQGAYJZ-UHFFFAOYSA-N
XLogP1.29
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide (CID 156608868) is 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide is Cn1nc(C(=O)NC2CCOCC2Oc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide?
The InChIKey is IUOFRUQHQGAYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-24-20(26)14-7-3-2-6-13(14)18(23-24)19(25)22-15-9-11-27-12-16(15)28-17-8-4-5-10-21-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,22,25).
What are the key properties of 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 156608868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).