2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide

C13H17N3O2 — CID 3074499

IUPAC2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CC(=O)c2ccccc2N1
InChIInChI=1S/C13H17N3O2/c1-2-7-14-13(18)9-16-8-12(17)10-5-3-4-6-11(10)15-16/h3-6,15H,2,7-9H2,1H3,(H,14,18)
InChIKeyKYAZYJLAOHSPOY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide

2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide (PubChem CID 3074499) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide
PubChem CID3074499
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CC(=O)c2ccccc2N1
InChIInChI=1S/C13H17N3O2/c1-2-7-14-13(18)9-16-8-12(17)10-5-3-4-6-11(10)15-16/h3-6,15H,2,7-9H2,1H3,(H,14,18)
InChIKeyKYAZYJLAOHSPOY-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide?
The IUPAC name of 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide (CID 3074499) is 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide is CCCNC(=O)CN1CC(=O)c2ccccc2N1.
What is the InChIKey of 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide?
The InChIKey is KYAZYJLAOHSPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-7-14-13(18)9-16-8-12(17)10-5-3-4-6-11(10)15-16/h3-6,15H,2,7-9H2,1H3,(H,14,18).
What are the key properties of 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide?
2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide is sourced from PubChem (CID 3074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).