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

C19H15ClN4O2 — CID 135833616

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

N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833616) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
• PubChem CID: 135833616
• Molecular Formula: C19H15ClN4O2
• Molecular Weight: 366.81 g/mol
• Exact Mass: 366.09
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
• SMILES: Cc1c(Cl)cccc1NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
• InChI: InChI=1S/C19H15ClN4O2/c1-11-14(20)6-4-8-15(11)22-17(25)10-24-19(26)18-13(9-21-24)12-5-2-3-7-16(12)23-18/h2-9,23H,10H2,1H3,(H,22,25)
• InChIKey: WCLAJBQMLOKPAC-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 79.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.81
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833616) is N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O.

What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

The InChIKey is WCLAJBQMLOKPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-14(20)6-4-8-15(11)22-17(25)10-24-19(26)18-13(9-21-24)12-5-2-3-7-16(12)23-18/h2-9,23H,10H2,1H3,(H,22,25).

What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 366.81 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).