N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C19H15FN4O2 — CID 135833634

IUPACN-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1ccccc1F
InChIInChI=1S/C19H15FN4O2/c1-23(16-9-5-3-7-14(16)20)17(25)11-24-19(26)18-13(10-21-24)12-6-2-4-8-15(12)22-18/h2-10,22H,11H2,1H3
InChIKeyOUPZQFGFSYISJO-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.68
Rot. Bonds3

About N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833634) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135833634
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1ccccc1F
InChIInChI=1S/C19H15FN4O2/c1-23(16-9-5-3-7-14(16)20)17(25)11-24-19(26)18-13(10-21-24)12-6-2-4-8-15(12)22-18/h2-10,22H,11H2,1H3
InChIKeyOUPZQFGFSYISJO-UHFFFAOYSA-N
XLogP2.68
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833634) is N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is CN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is OUPZQFGFSYISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-23(16-9-5-3-7-14(16)20)17(25)11-24-19(26)18-13(10-21-24)12-6-2-4-8-15(12)22-18/h2-10,22H,11H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 350.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).