N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide

C17H23N3O2 — CID 78672212

IUPACN-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCCCCC(C)NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-3-4-5-8-13(2)19-17(22)12-20-15-10-7-6-9-14(15)16(21)11-18-20/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,19,22)
InChIKeyHJYYNCLNMFCEFI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.48
Rot. Bonds7

About N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide

N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 78672212) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID78672212
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCCCCC(C)NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-3-4-5-8-13(2)19-17(22)12-20-15-10-7-6-9-14(15)16(21)11-18-20/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,19,22)
InChIKeyHJYYNCLNMFCEFI-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide (CID 78672212) is N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide is CCCCCC(C)NC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is HJYYNCLNMFCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-5-8-13(2)19-17(22)12-20-15-10-7-6-9-14(15)16(21)11-18-20/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,19,22).
What are the key properties of N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 78672212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).