2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide

C13H19N3O2 — CID 75465688

IUPAC2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C13H19N3O2/c1-9(2)14-12(17)8-16-13(18)7-10-5-3-4-6-11(10)15-16/h7,9H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyJPJISQNSTBJNLG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.65
Rot. Bonds3

About 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide

2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide (PubChem CID 75465688) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide
PubChem CID75465688
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C13H19N3O2/c1-9(2)14-12(17)8-16-13(18)7-10-5-3-4-6-11(10)15-16/h7,9H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyJPJISQNSTBJNLG-UHFFFAOYSA-N
XLogP0.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide (CID 75465688) is 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is JPJISQNSTBJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)14-12(17)8-16-13(18)7-10-5-3-4-6-11(10)15-16/h7,9H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide?
2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 75465688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).