2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione

C18H13NO2 — CID 20678030

IUPAC2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1=NC2C=CC=CC2C=C1
InChIInChI=1S/C18H13NO2/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/h1-11,14,16H
InChIKeyZJWUNMWEYLUALO-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.80
Rot. Bonds1

About 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione

2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione (PubChem CID 20678030) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione
PubChem CID20678030
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1=NC2C=CC=CC2C=C1
InChIInChI=1S/C18H13NO2/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/h1-11,14,16H
InChIKeyZJWUNMWEYLUALO-UHFFFAOYSA-N
XLogP2.80
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione (CID 20678030) is 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1C1=NC2C=CC=CC2C=C1.
What is the InChIKey of 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione?
The InChIKey is ZJWUNMWEYLUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/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/h1-11,14,16H.
What are the key properties of 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione?
2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione has a molecular weight of 275.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8a-dihydroquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 20678030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).