7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one

C18H16BrNO4 — CID 168869507

IUPAC7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
SMILESCOc1c(OCCBr)cc(O)c2c(=O)cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C18H16BrNO4/c1-23-18-15(24-8-7-19)10-14(22)16-13(21)9-12(20-17(16)18)11-5-3-2-4-6-11/h2-6,9-10,22H,7-8H2,1H3,(H,20,21)
InChIKeyJHJBXPPQQRKDET-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.68
Rot. Bonds5

About 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one

7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one (PubChem CID 168869507) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
PubChem CID168869507
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
SMILESCOc1c(OCCBr)cc(O)c2c(=O)cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C18H16BrNO4/c1-23-18-15(24-8-7-19)10-14(22)16-13(21)9-12(20-17(16)18)11-5-3-2-4-6-11/h2-6,9-10,22H,7-8H2,1H3,(H,20,21)
InChIKeyJHJBXPPQQRKDET-UHFFFAOYSA-N
XLogP3.68
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one (CID 168869507) is 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one is COc1c(OCCBr)cc(O)c2c(=O)cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
The InChIKey is JHJBXPPQQRKDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-23-18-15(24-8-7-19)10-14(22)16-13(21)9-12(20-17(16)18)11-5-3-2-4-6-11/h2-6,9-10,22H,7-8H2,1H3,(H,20,21).
What are the key properties of 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one has a molecular weight of 390.23 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoethoxy)-5-hydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 168869507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).