7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one

C16H15N3O2 — CID 175357159

IUPAC7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one
SMILESCNc1ccc(-c2n[nH]c(=O)c3cc(OC)ccc23)cc1
InChIInChI=1S/C16H15N3O2/c1-17-11-5-3-10(4-6-11)15-13-8-7-12(21-2)9-14(13)16(20)19-18-15/h3-9,17H,1-2H3,(H,19,20)
InChIKeyAUSBFIZWNPRZJZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.64
Rot. Bonds3

About 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one

7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one (PubChem CID 175357159) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one
PubChem CID175357159
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one
SMILESCNc1ccc(-c2n[nH]c(=O)c3cc(OC)ccc23)cc1
InChIInChI=1S/C16H15N3O2/c1-17-11-5-3-10(4-6-11)15-13-8-7-12(21-2)9-14(13)16(20)19-18-15/h3-9,17H,1-2H3,(H,19,20)
InChIKeyAUSBFIZWNPRZJZ-UHFFFAOYSA-N
XLogP2.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-oxo-4-[4-[(sulfinoamino)methyl]phenyl]-2H-phthalazine
CID 166523636
7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride
CID 157040020
tert-butyl N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]carbamate;methane;methanol;methyl 5-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]benzoate
CID 159586984
1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 90299261
tert-butyl N-[[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]methylsulfamoyl]carbamate
CID 157040016
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
4-(2-bromo-4-methoxyphenyl)-2H-phthalazin-1-one
CID 60787131
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide
CID 90299379
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one?
The IUPAC name of 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one (CID 175357159) is 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one is CNc1ccc(-c2n[nH]c(=O)c3cc(OC)ccc23)cc1.
What is the InChIKey of 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one?
The InChIKey is AUSBFIZWNPRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-17-11-5-3-10(4-6-11)15-13-8-7-12(21-2)9-14(13)16(20)19-18-15/h3-9,17H,1-2H3,(H,19,20).
What are the key properties of 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one?
7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one has a molecular weight of 281.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 175357159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).