7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one

C18H15BrN2O2 — CID 166151245

IUPAC7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one
SMILESCOc1cc(C2CC2)ccc1-c1n[nH]c(=O)c2cc(Br)ccc12
InChIInChI=1S/C18H15BrN2O2/c1-23-16-8-11(10-2-3-10)4-6-14(16)17-13-7-5-12(19)9-15(13)18(22)21-20-17/h4-10H,2-3H2,1H3,(H,21,22)
InChIKeyQQLSVSRCGZWXDH-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.24
Rot. Bonds3

About 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one

7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one (PubChem CID 166151245) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one
PubChem CID166151245
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one
SMILESCOc1cc(C2CC2)ccc1-c1n[nH]c(=O)c2cc(Br)ccc12
InChIInChI=1S/C18H15BrN2O2/c1-23-16-8-11(10-2-3-10)4-6-14(16)17-13-7-5-12(19)9-15(13)18(22)21-20-17/h4-10H,2-3H2,1H3,(H,21,22)
InChIKeyQQLSVSRCGZWXDH-UHFFFAOYSA-N
XLogP4.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N'-[(E)-(2-methoxyphenyl)methylidene]benzohydrazide
CID 6870906
4-[(2-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 66897828
3-bromo-N'-[(2-methoxy-1-naphthyl)methylene]benzohydrazide
CID 5338647
4-[(4-fluoro-3-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 58763957
N-[7-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2(1H)-yl]-2-(3,5-difluorophenyl)acetamide
CID 67159879
N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
CID 67160049
7-bromo-4-(2-methoxy-4-(trifluoromethyl)phenyl)phthalazin-1(2H)-one
CID 86687554
4-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 132260316
4-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2H-phthalazin-1-one
CID 132260597
4-[(3-bromo-4-fluorophenyl)methyl]-6-methoxy-2H-phthalazin-1-one
CID 132260751
4-[(3-bromo-4-fluorophenyl)methyl]-5,7-dimethoxy-2H-phthalazin-1-one
CID 132260789
4-[(3-bromo-4-fluorophenyl)methyl]-6,7-dimethoxy-2H-phthalazin-1-one
CID 132261221

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one?
The IUPAC name of 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one (CID 166151245) is 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one?
The canonical SMILES for 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one is COc1cc(C2CC2)ccc1-c1n[nH]c(=O)c2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one?
The InChIKey is QQLSVSRCGZWXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-23-16-8-11(10-2-3-10)4-6-14(16)17-13-7-5-12(19)9-15(13)18(22)21-20-17/h4-10H,2-3H2,1H3,(H,21,22).
What are the key properties of 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one?
7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one has a molecular weight of 371.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(4-cyclopropyl-2-methoxyphenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 166151245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).