4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one

C24H20N4O5 — CID 71677985

IUPAC4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cccc(Oc3n[nH]c(=O)c4ccccc34)c2)CC1
InChIInChI=1S/C24H20N4O5/c29-21-19-6-1-2-7-20(19)22(26-25-21)33-18-5-3-4-16(14-18)23(30)27-9-11-28(12-10-27)24(31)17-8-13-32-15-17/h1-8,13-15H,9-12H2,(H,25,29)
InChIKeyLQAPJVSVZYSKKJ-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.91
Rot. Bonds4

About 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one

4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one (PubChem CID 71677985) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
PubChem CID71677985
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cccc(Oc3n[nH]c(=O)c4ccccc34)c2)CC1
InChIInChI=1S/C24H20N4O5/c29-21-19-6-1-2-7-20(19)22(26-25-21)33-18-5-3-4-16(14-18)23(30)27-9-11-28(12-10-27)24(31)17-8-13-32-15-17/h1-8,13-15H,9-12H2,(H,25,29)
InChIKeyLQAPJVSVZYSKKJ-UHFFFAOYSA-N
XLogP2.91
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-fluoro-3-[4-(3-nitrobenzoyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
CID 71598779
1-[2-methyl-5-[(4-oxo-3H-phthalazin-1-yl)oxy]benzoyl]piperidine-4-carbonitrile
CID 123889880
4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)oxy]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide
CID 141312130
4-[4-fluoro-3-[4-[3-(methylamino)propanoyl]piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
CID 71678482
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
4-[[4-(4-benzoylpiperazine-1-carbonyl)thiophen-2-yl]methyl]-2H-phthalazin-1-one
CID 118708496
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
4-[[3-(1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132256
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 32531171
4-[3-[4-[2-[4-[1-[5-[3-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-3-yl]phenoxy]pyridazin-3-yl]piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
CID 177119138

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one?
The IUPAC name of 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one (CID 71677985) is 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one?
The canonical SMILES for 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one is O=C(c1ccoc1)N1CCN(C(=O)c2cccc(Oc3n[nH]c(=O)c4ccccc34)c2)CC1.
What is the InChIKey of 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one?
The InChIKey is LQAPJVSVZYSKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c29-21-19-6-1-2-7-20(19)22(26-25-21)33-18-5-3-4-16(14-18)23(30)27-9-11-28(12-10-27)24(31)17-8-13-32-15-17/h1-8,13-15H,9-12H2,(H,25,29).
What are the key properties of 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one?
4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one has a molecular weight of 444.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(furan-3-carbonyl)piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one is sourced from PubChem (CID 71677985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).