2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C18H19N3O2 — CID 9439842

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C18H19N3O2/c22-17-11-14-6-1-3-7-15(14)19-21(17)12-18(23)20-10-9-13-5-2-4-8-16(13)20/h2,4-5,8,11H,1,3,6-7,9-10,12H2
InChIKeyHFKWXPMLNAAALB-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.71
Rot. Bonds2

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 9439842) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID9439842
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C18H19N3O2/c22-17-11-14-6-1-3-7-15(14)19-21(17)12-18(23)20-10-9-13-5-2-4-8-16(13)20/h2,4-5,8,11H,1,3,6-7,9-10,12H2
InChIKeyHFKWXPMLNAAALB-UHFFFAOYSA-N
XLogP1.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71910003
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 7666246
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659550
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517683
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
CID 75465727
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 127706635
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-10-methyl-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 1435083
2-(3,3-dimethyl-2-oxobutyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 51075108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 9439842) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C(Cn1nc2c(cc1=O)CCCC2)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is HFKWXPMLNAAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-11-14-6-1-3-7-15(14)19-21(17)12-18(23)20-10-9-13-5-2-4-8-16(13)20/h2,4-5,8,11H,1,3,6-7,9-10,12H2.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 309.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 9439842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).