2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione

C18H10BrNO3 — CID 25152

IUPAC2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O
InChIInChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H
InChIKeyDVBLPJWQXDCAKU-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.87
Rot. Bonds1

About 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione

2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione (PubChem CID 25152) has the molecular formula C18H10BrNO3 and a molecular weight of 368.19 g/mol. Its IUPAC name is 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
PubChem CID25152
Molecular FormulaC18H10BrNO3
Molecular Weight368.19 g/mol
Exact Mass366.98
IUPAC Name2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O
InChIInChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H
InChIKeyDVBLPJWQXDCAKU-UHFFFAOYSA-N
XLogP3.87
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione (CID 25152) is 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O.
What is the InChIKey of 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
The InChIKey is DVBLPJWQXDCAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H.
What are the key properties of 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione has a molecular weight of 368.19 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 25152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).