ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde

C36H37N3O3 — CID 143462929

IUPACethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde
SMILESC=Cc1cc(-c2ccccc2)cc(-c2nn(-c3cc(N4CCOCC4)ccc3C)c(=O)c3ccccc23)c1.C=O.CC
InChIInChI=1S/C33H29N3O2.C2H6.CH2O/c1-3-24-19-26(25-9-5-4-6-10-25)21-27(20-24)32-29-11-7-8-12-30(29)33(37)36(34-32)31-22-28(14-13-23(31)2)35-15-17-38-18-16-35;2*1-2/h3-14,19-22H,1,15-18H2,2H3;1-2H3;1H2
InChIKeyWGFKSRRVOKJMSW-UHFFFAOYSA-N
MW559.71 g/mol
LogP7.35
Rot. Bonds5

About ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde

ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde (PubChem CID 143462929) has the molecular formula C36H37N3O3 and a molecular weight of 559.71 g/mol. Its IUPAC name is ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde.

Molecular Properties

Compound Nameethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde
PubChem CID143462929
Molecular FormulaC36H37N3O3
Molecular Weight559.71 g/mol
Exact Mass559.28
IUPAC Nameethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde
SMILESC=Cc1cc(-c2ccccc2)cc(-c2nn(-c3cc(N4CCOCC4)ccc3C)c(=O)c3ccccc23)c1.C=O.CC
InChIInChI=1S/C33H29N3O2.C2H6.CH2O/c1-3-24-19-26(25-9-5-4-6-10-25)21-27(20-24)32-29-11-7-8-12-30(29)33(37)36(34-32)31-22-28(14-13-23(31)2)35-15-17-38-18-16-35;2*1-2/h3-14,19-22H,1,15-18H2,2H3;1-2H3;1H2
InChIKeyWGFKSRRVOKJMSW-UHFFFAOYSA-N
XLogP7.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one
CID 143462870
2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one
CID 143463094
4-(3-ethenyl-5-pyridin-2-ylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69160195
4-[3-ethenyl-5-(1,3-oxazol-5-yl)phenyl]-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69161624
4-[3-ethenyl-5-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 91155418
2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one
CID 143463066
2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one
CID 2901797
3-methoxy-5-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzaldehyde
CID 87717868
4-(3-acetyl-5-prop-1-en-2-ylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69162120
CID 89246728
CID 89246728
4-[3-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69160169
N,N-dimethyl-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 69162047

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde?
The IUPAC name of ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde (CID 143462929) is ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde.
What is the SMILES notation for ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde?
The canonical SMILES for ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde is C=Cc1cc(-c2ccccc2)cc(-c2nn(-c3cc(N4CCOCC4)ccc3C)c(=O)c3ccccc23)c1.C=O.CC.
What is the InChIKey of ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde?
The InChIKey is WGFKSRRVOKJMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O2.C2H6.CH2O/c1-3-24-19-26(25-9-5-4-6-10-25)21-27(20-24)32-29-11-7-8-12-30(29)33(37)36(34-32)31-22-28(14-13-23(31)2)35-15-17-38-18-16-35;2*1-2/h3-14,19-22H,1,15-18H2,2H3;1-2H3;1H2.
What are the key properties of ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde?
ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde has a molecular weight of 559.71 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde is sourced from PubChem (CID 143462929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).