ethane;2-quinolin-2-ylindene-1,3-dione

C20H17NO2 — CID 123277831

IUPACethane;2-quinolin-2-ylindene-1,3-dione
SMILESCC.O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1
InChIInChI=1S/C18H11NO2.C2H6/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;1-2/h1-10,16H;1-2H3
InChIKeyNPVAXLMUZQEYEM-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.42
Rot. Bonds1

About ethane;2-quinolin-2-ylindene-1,3-dione

ethane;2-quinolin-2-ylindene-1,3-dione (PubChem CID 123277831) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethane;2-quinolin-2-ylindene-1,3-dione.

Molecular Properties

Compound Nameethane;2-quinolin-2-ylindene-1,3-dione
PubChem CID123277831
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Nameethane;2-quinolin-2-ylindene-1,3-dione
SMILESCC.O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1
InChIInChI=1S/C18H11NO2.C2H6/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;1-2/h1-10,16H;1-2H3
InChIKeyNPVAXLMUZQEYEM-UHFFFAOYSA-N
XLogP4.42
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;methanesulfonate;2-quinolin-2-ylindene-1,3-dione
CID 175667579
benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione
CID 66661911
(2S)-6-bromo-2-quinolin-2-ylphenalene-1,3-dione
CID 98456871
2-(3-methyloxiran-2-yl)quinoline
CID 10330043
4,5,6,7-tetrachloroisoindole-1,3-dione;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
CID 174831755
(2S)-5-bromo-2-(6-methylquinolin-2-yl)indene-1,3-dione
CID 98107557
2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione
CID 4090872
3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 58723455
2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline
CID 58652112
2-[(2R)-aziridin-2-yl]quinoline
CID 55263271
acridine;ethane
CID 123684759
(4S)-4-quinolin-2-ylimidazolidin-2-one
CID 171252662

Frequently Asked Questions

What is the IUPAC name of ethane;2-quinolin-2-ylindene-1,3-dione?
The IUPAC name of ethane;2-quinolin-2-ylindene-1,3-dione (CID 123277831) is ethane;2-quinolin-2-ylindene-1,3-dione.
What is the SMILES notation for ethane;2-quinolin-2-ylindene-1,3-dione?
The canonical SMILES for ethane;2-quinolin-2-ylindene-1,3-dione is CC.O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1.
What is the InChIKey of ethane;2-quinolin-2-ylindene-1,3-dione?
The InChIKey is NPVAXLMUZQEYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2.C2H6/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;1-2/h1-10,16H;1-2H3.
What are the key properties of ethane;2-quinolin-2-ylindene-1,3-dione?
ethane;2-quinolin-2-ylindene-1,3-dione has a molecular weight of 303.36 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-quinolin-2-ylindene-1,3-dione is sourced from PubChem (CID 123277831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).