7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one

C21H17N3O2 — CID 67836611

IUPAC7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one
SMILESCOc1ccccc1-c1nn(Cc2ccccc2)c(=O)c2ncccc12
InChIInChI=1S/C21H17N3O2/c1-26-18-12-6-5-10-16(18)19-17-11-7-13-22-20(17)21(25)24(23-19)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyRJMMYJKLAJNCOU-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds4

About 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one

7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one (PubChem CID 67836611) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one
PubChem CID67836611
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one
SMILESCOc1ccccc1-c1nn(Cc2ccccc2)c(=O)c2ncccc12
InChIInChI=1S/C21H17N3O2/c1-26-18-12-6-5-10-16(18)19-17-11-7-13-22-20(17)21(25)24(23-19)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyRJMMYJKLAJNCOU-UHFFFAOYSA-N
XLogP3.52
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one (CID 67836611) is 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one is COc1ccccc1-c1nn(Cc2ccccc2)c(=O)c2ncccc12.
What is the InChIKey of 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one?
The InChIKey is RJMMYJKLAJNCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-18-12-6-5-10-16(18)19-17-11-7-13-22-20(17)21(25)24(23-19)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one?
7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one has a molecular weight of 343.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 67836611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).