2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide

C23H24N4O2 — CID 20884684

IUPAC2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCCc3ccccc3)nc(C)n12
InChIInChI=1S/C23H24N4O2/c1-16-10-11-20-19(13-16)14-21-23(29)26(25-17(2)27(20)21)15-22(28)24-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,24,28)
InChIKeyQBPIOSYIWWNWRC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.02
Rot. Bonds6

About 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide

2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 20884684) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
PubChem CID20884684
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCCc3ccccc3)nc(C)n12
InChIInChI=1S/C23H24N4O2/c1-16-10-11-20-19(13-16)14-21-23(29)26(25-17(2)27(20)21)15-22(28)24-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,24,28)
InChIKeyQBPIOSYIWWNWRC-UHFFFAOYSA-N
XLogP3.02
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-phenylethyl)acetamide
CID 20884963
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884692
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20893850
2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide
CID 20884873
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20884695
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 2100313
4-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylethyl)butanamide
CID 6620337
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide (CID 20884684) is 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide is Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCCc3ccccc3)nc(C)n12.
What is the InChIKey of 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is QBPIOSYIWWNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-10-11-20-19(13-16)14-21-23(29)26(25-17(2)27(20)21)15-22(28)24-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,24,28).
What are the key properties of 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide?
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 20884684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).