7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

C19H18N4O3 — CID 167829626

IUPAC7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1ccc2cn[nH]c(=O)c2c1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C19H18N4O3/c24-16-3-1-2-15(11-16)22-6-8-23(9-7-22)19(26)13-4-5-14-12-20-21-18(25)17(14)10-13/h1-5,10-12,24H,6-9H2,(H,21,25)
InChIKeyVADAGXZQHDKVHC-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.59
Rot. Bonds2

About 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 167829626) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID167829626
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1ccc2cn[nH]c(=O)c2c1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C19H18N4O3/c24-16-3-1-2-15(11-16)22-6-8-23(9-7-22)19(26)13-4-5-14-12-20-21-18(25)17(14)10-13/h1-5,10-12,24H,6-9H2,(H,21,25)
InChIKeyVADAGXZQHDKVHC-UHFFFAOYSA-N
XLogP1.59
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
[4-(3-hydroxyphenyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 146122602
(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 133464338
[4-(3-hydroxyphenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 112808785
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799070
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
CID 136559134
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60787653

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one (CID 167829626) is 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one is O=C(c1ccc2cn[nH]c(=O)c2c1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is VADAGXZQHDKVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-16-3-1-2-15(11-16)22-6-8-23(9-7-22)19(26)13-4-5-14-12-20-21-18(25)17(14)10-13/h1-5,10-12,24H,6-9H2,(H,21,25).
What are the key properties of 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 350.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 167829626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).