4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one

C20H17N3O3 — CID 71943929

IUPAC4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H17N3O3/c24-15-7-5-13(6-8-15)14-9-11-23(12-10-14)20(26)18-16-3-1-2-4-17(16)19(25)22-21-18/h1-9,24H,10-12H2,(H,22,25)
InChIKeyWFCGGIXTGPFXOI-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.56
Rot. Bonds2

About 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one

4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 71943929) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID71943929
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H17N3O3/c24-15-7-5-13(6-8-15)14-9-11-23(12-10-14)20(26)18-16-3-1-2-4-17(16)19(25)22-21-18/h1-9,24H,10-12H2,(H,22,25)
InChIKeyWFCGGIXTGPFXOI-UHFFFAOYSA-N
XLogP2.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one (CID 71943929) is 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is WFCGGIXTGPFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-15-7-5-13(6-8-15)14-9-11-23(12-10-14)20(26)18-16-3-1-2-4-17(16)19(25)22-21-18/h1-9,24H,10-12H2,(H,22,25).
What are the key properties of 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one?
4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 347.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 71943929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).