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

C21H19ClN4O2 — CID 20912845

IUPACN-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3ccccc3Cl)c(=O)c21
InChIInChI=1S/C21H19ClN4O2/c1-2-11-25-18-10-6-3-7-14(18)15-12-23-26(21(28)20(15)25)13-19(27)24-17-9-5-4-8-16(17)22/h3-10,12H,2,11,13H2,1H3,(H,24,27)
InChIKeyITZYDMOXACGDKY-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.05
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 20912845) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID20912845
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3ccccc3Cl)c(=O)c21
InChIInChI=1S/C21H19ClN4O2/c1-2-11-25-18-10-6-3-7-14(18)15-12-23-26(21(28)20(15)25)13-19(27)24-17-9-5-4-8-16(17)22/h3-10,12H,2,11,13H2,1H3,(H,24,27)
InChIKeyITZYDMOXACGDKY-UHFFFAOYSA-N
XLogP4.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912920
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912739
N-(6-acetamido-3-pyridinyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912869
methyl 6-[[2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20912867
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 20912886
N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912890
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20891977
N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892227
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912849
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 20891948
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-methylacetamide
CID 20892279

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (CID 20912845) is N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccccc3Cl)c(=O)c21.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is ITZYDMOXACGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-2-11-25-18-10-6-3-7-14(18)15-12-23-26(21(28)20(15)25)13-19(27)24-17-9-5-4-8-16(17)22/h3-10,12H,2,11,13H2,1H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 394.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 20912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).