2-(7-methylquinolin-2-yl)indene-1,3-dione

C19H13NO2 — CID 2843949

IUPAC2-(7-methylquinolin-2-yl)indene-1,3-dione
SMILESCc1ccc2ccc(C3C(=O)c4ccccc4C3=O)nc2c1
InChIInChI=1S/C19H13NO2/c1-11-6-7-12-8-9-15(20-16(12)10-11)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3
InChIKeyHUNOPLLEKHNEKN-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.71
Rot. Bonds1

About 2-(7-methylquinolin-2-yl)indene-1,3-dione

2-(7-methylquinolin-2-yl)indene-1,3-dione (PubChem CID 2843949) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(7-methylquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(7-methylquinolin-2-yl)indene-1,3-dione
PubChem CID2843949
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name2-(7-methylquinolin-2-yl)indene-1,3-dione
SMILESCc1ccc2ccc(C3C(=O)c4ccccc4C3=O)nc2c1
InChIInChI=1S/C19H13NO2/c1-11-6-7-12-8-9-15(20-16(12)10-11)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3
InChIKeyHUNOPLLEKHNEKN-UHFFFAOYSA-N
XLogP3.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.71
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-(7-methylquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 2-(7-methylquinolin-2-yl)indene-1,3-dione (CID 2843949) is 2-(7-methylquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(7-methylquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(7-methylquinolin-2-yl)indene-1,3-dione is Cc1ccc2ccc(C3C(=O)c4ccccc4C3=O)nc2c1.
What is the InChIKey of 2-(7-methylquinolin-2-yl)indene-1,3-dione?
The InChIKey is HUNOPLLEKHNEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c1-11-6-7-12-8-9-15(20-16(12)10-11)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3.
What are the key properties of 2-(7-methylquinolin-2-yl)indene-1,3-dione?
2-(7-methylquinolin-2-yl)indene-1,3-dione has a molecular weight of 287.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 2843949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).