6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one

C21H19N3O2 — CID 138488340

IUPAC6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one
SMILESCOc1ccc(C)c(C2=Cc3cnn(-c4ccccn4)c(=O)c3CC2)c1
InChIInChI=1S/C21H19N3O2/c1-14-6-8-17(26-2)12-19(14)15-7-9-18-16(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10-13H,7,9H2,1-2H3
InChIKeyJHWCAGZGEBJFSA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.43
Rot. Bonds3

About 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one

6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one (PubChem CID 138488340) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one.

Molecular Properties

Compound Name6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one
PubChem CID138488340
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one
SMILESCOc1ccc(C)c(C2=Cc3cnn(-c4ccccn4)c(=O)c3CC2)c1
InChIInChI=1S/C21H19N3O2/c1-14-6-8-17(26-2)12-19(14)15-7-9-18-16(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10-13H,7,9H2,1-2H3
InChIKeyJHWCAGZGEBJFSA-UHFFFAOYSA-N
XLogP3.43
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one
CID 138488406
2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine
CID 56930184
6-(5-methoxy-2-methylphenyl)-2-pyrimidin-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 138488229
6-(3-methoxy-2-methylphenyl)-2-pyridin-2-ylphthalazin-1-one
CID 166126366
N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 154806253
3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 95384794
2-[3-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328998
9-methoxy-6-methyl-3-pyrimidin-2-yl-4,5-dihydropyrazolo[5,4-c]acridine
CID 167791993
5-methoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135465524
4-(2,4-dimethoxyphenyl)-3-methyl-1-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135635423
4-(3,5-dimethoxyphenyl)-3-methyl-1-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135658754
(3S)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 95391005

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one?
The IUPAC name of 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one (CID 138488340) is 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one.
What is the SMILES notation for 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one?
The canonical SMILES for 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one is COc1ccc(C)c(C2=Cc3cnn(-c4ccccn4)c(=O)c3CC2)c1.
What is the InChIKey of 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one?
The InChIKey is JHWCAGZGEBJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-6-8-17(26-2)12-19(14)15-7-9-18-16(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10-13H,7,9H2,1-2H3.
What are the key properties of 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one?
6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one has a molecular weight of 345.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one is sourced from PubChem (CID 138488340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).