formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one

C31H37N3O4 — CID 143462870

IUPACformaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one
SMILESC=O.COC.Cc1ccc(N2CCOCC2)cc1-n1nc(-c2cccc(C(C)C)c2)c2ccccc2c1=O
InChIInChI=1S/C28H29N3O2.C2H6O.CH2O/c1-19(2)21-7-6-8-22(17-21)27-24-9-4-5-10-25(24)28(32)31(29-27)26-18-23(12-11-20(26)3)30-13-15-33-16-14-30;1-3-2;1-2/h4-12,17-19H,13-16H2,1-3H3;1-2H3;1H2
InChIKeyPJUAVHUUZDXWHR-UHFFFAOYSA-N
MW515.65 g/mol
LogP5.40
Rot. Bonds4

About formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one

formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one (PubChem CID 143462870) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one.

Molecular Properties

Compound Nameformaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one
PubChem CID143462870
Molecular FormulaC31H37N3O4
Molecular Weight515.65 g/mol
Exact Mass515.28
IUPAC Nameformaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one
SMILESC=O.COC.Cc1ccc(N2CCOCC2)cc1-n1nc(-c2cccc(C(C)C)c2)c2ccccc2c1=O
InChIInChI=1S/C28H29N3O2.C2H6O.CH2O/c1-19(2)21-7-6-8-22(17-21)27-24-9-4-5-10-25(24)28(32)31(29-27)26-18-23(12-11-20(26)3)30-13-15-33-16-14-30;1-3-2;1-2/h4-12,17-19H,13-16H2,1-3H3;1-2H3;1H2
InChIKeyPJUAVHUUZDXWHR-UHFFFAOYSA-N
XLogP5.40
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde
CID 143462929
2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one
CID 143463094
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
CID 89246728
CID 89246728
4-[3-(N-methoxy-C-methylcarbonimidoyl)phenyl]-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 91355330
N,N-dimethyl-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 69162047
N'-hydroxy-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzenecarboximidamide
CID 44512179
N-hydroxy-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 87717921
4-(3-acetyl-5-prop-1-en-2-ylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69162120
3-methoxy-5-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzaldehyde
CID 87717868
4-(1-benzofuran-6-yl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 44512124

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one?
The IUPAC name of formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one (CID 143462870) is formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one.
What is the SMILES notation for formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one?
The canonical SMILES for formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one is C=O.COC.Cc1ccc(N2CCOCC2)cc1-n1nc(-c2cccc(C(C)C)c2)c2ccccc2c1=O.
What is the InChIKey of formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one?
The InChIKey is PJUAVHUUZDXWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C2H6O.CH2O/c1-19(2)21-7-6-8-22(17-21)27-24-9-4-5-10-25(24)28(32)31(29-27)26-18-23(12-11-20(26)3)30-13-15-33-16-14-30;1-3-2;1-2/h4-12,17-19H,13-16H2,1-3H3;1-2H3;1H2.
What are the key properties of formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one?
formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one has a molecular weight of 515.65 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one is sourced from PubChem (CID 143462870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).