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

C22H21ClN4O2 — CID 20912920

IUPACN-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3cccc(Cl)c3C)c(=O)c21
InChIInChI=1S/C22H21ClN4O2/c1-3-11-26-19-10-5-4-7-15(19)16-12-24-27(22(29)21(16)26)13-20(28)25-18-9-6-8-17(23)14(18)2/h4-10,12H,3,11,13H2,1-2H3,(H,25,28)
InChIKeyYBOUOQOOIDKUSE-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.36
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 20912920) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID20912920
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3cccc(Cl)c3C)c(=O)c21
InChIInChI=1S/C22H21ClN4O2/c1-3-11-26-19-10-5-4-7-15(19)16-12-24-27(22(29)21(16)26)13-20(28)25-18-9-6-8-17(23)14(18)2/h4-10,12H,3,11,13H2,1-2H3,(H,25,28)
InChIKeyYBOUOQOOIDKUSE-UHFFFAOYSA-N
XLogP4.36
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912845
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912739
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
N-(6-acetamido-3-pyridinyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912869
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
methyl 6-[[2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20912867
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N-(3-chloro-2-methylphenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601447
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 20912886

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (CID 20912920) is N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is CCCn1c2ccccc2c2cnn(CC(=O)Nc3cccc(Cl)c3C)c(=O)c21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is YBOUOQOOIDKUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-3-11-26-19-10-5-4-7-15(19)16-12-24-27(22(29)21(16)26)13-20(28)25-18-9-6-8-17(23)14(18)2/h4-10,12H,3,11,13H2,1-2H3,(H,25,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 20912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).