N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide

C21H20N4O2 — CID 17476622

IUPACN-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H20N4O2/c26-20-14-23-25(19-9-4-2-7-17(19)20)15-21(27)22-11-5-12-24-13-10-16-6-1-3-8-18(16)24/h1-4,6-10,13-14H,5,11-12,15H2,(H,22,27)
InChIKeyOVAMPESFVRWYCY-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.56
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide

N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 17476622) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID17476622
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H20N4O2/c26-20-14-23-25(19-9-4-2-7-17(19)20)15-21(27)22-11-5-12-24-13-10-16-6-1-3-8-18(16)24/h1-4,6-10,13-14H,5,11-12,15H2,(H,22,27)
InChIKeyOVAMPESFVRWYCY-UHFFFAOYSA-N
XLogP2.56
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.56
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

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55451342
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55415378
N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55436838
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55378394
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 17476622) is N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is OVAMPESFVRWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20-14-23-25(19-9-4-2-7-17(19)20)15-21(27)22-11-5-12-24-13-10-16-6-1-3-8-18(16)24/h1-4,6-10,13-14H,5,11-12,15H2,(H,22,27).
What are the key properties of N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 17476622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).