2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one

C24H24N4O2 — CID 143463094

IUPAC2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one
SMILESCc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3C)c(=O)c3ccccc23)[nH]1
InChIInChI=1S/C24H24N4O2/c1-16-7-9-18(27-11-13-30-14-12-27)15-22(16)28-24(29)20-6-4-3-5-19(20)23(26-28)21-10-8-17(2)25-21/h3-10,15,25H,11-14H2,1-2H3
InChIKeyPNEQFMJZNINUSZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.83
Rot. Bonds3

About 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one

2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one (PubChem CID 143463094) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one
PubChem CID143463094
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one
SMILESCc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3C)c(=O)c3ccccc23)[nH]1
InChIInChI=1S/C24H24N4O2/c1-16-7-9-18(27-11-13-30-14-12-27)15-22(16)28-24(29)20-6-4-3-5-19(20)23(26-28)21-10-8-17(2)25-21/h3-10,15,25H,11-14H2,1-2H3
InChIKeyPNEQFMJZNINUSZ-UHFFFAOYSA-N
XLogP3.83
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde
CID 143462929
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
N,N-dimethyl-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 69162047
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
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
4-(1,3-benzoxazol-5-yl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69160521
N'-hydroxy-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzenecarboximidamide
CID 44512179

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one?
The IUPAC name of 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one (CID 143463094) is 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one.
What is the SMILES notation for 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one?
The canonical SMILES for 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one is Cc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3C)c(=O)c3ccccc23)[nH]1.
What is the InChIKey of 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one?
The InChIKey is PNEQFMJZNINUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-7-9-18(27-11-13-30-14-12-27)15-22(16)28-24(29)20-6-4-3-5-19(20)23(26-28)21-10-8-17(2)25-21/h3-10,15,25H,11-14H2,1-2H3.
What are the key properties of 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one?
2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one has a molecular weight of 400.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one is sourced from PubChem (CID 143463094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).