1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one

C18H16N2O3 — CID 71010883

IUPAC1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
SMILESCOc1ccc2c(C(=O)c3ccccc3)nn(CC(C)=O)c2c1
InChIInChI=1S/C18H16N2O3/c1-12(21)11-20-16-10-14(23-2)8-9-15(16)17(19-20)18(22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyCFNNLMVPUMGBMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.86
Rot. Bonds5

About 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one

1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one (PubChem CID 71010883) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
PubChem CID71010883
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
SMILESCOc1ccc2c(C(=O)c3ccccc3)nn(CC(C)=O)c2c1
InChIInChI=1S/C18H16N2O3/c1-12(21)11-20-16-10-14(23-2)8-9-15(16)17(19-20)18(22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyCFNNLMVPUMGBMS-UHFFFAOYSA-N
XLogP2.86
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one?
The IUPAC name of 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one (CID 71010883) is 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one?
The canonical SMILES for 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one is COc1ccc2c(C(=O)c3ccccc3)nn(CC(C)=O)c2c1.
What is the InChIKey of 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one?
The InChIKey is CFNNLMVPUMGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)11-20-16-10-14(23-2)8-9-15(16)17(19-20)18(22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one?
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one is sourced from PubChem (CID 71010883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).