7-(4-bromophenoxy)-2-methylquinoline-5,8-dione

C16H10BrNO3 — CID 163360750

IUPAC7-(4-bromophenoxy)-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(Oc1ccc(Br)cc1)=CC2=O
InChIInChI=1S/C16H10BrNO3/c1-9-2-7-12-13(19)8-14(16(20)15(12)18-9)21-11-5-3-10(17)4-6-11/h2-8H,1H3
InChIKeyCKXOOHFNPXTMNO-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.49
Rot. Bonds2

About 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione

7-(4-bromophenoxy)-2-methylquinoline-5,8-dione (PubChem CID 163360750) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione.

Molecular Properties

Compound Name7-(4-bromophenoxy)-2-methylquinoline-5,8-dione
PubChem CID163360750
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name7-(4-bromophenoxy)-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(Oc1ccc(Br)cc1)=CC2=O
InChIInChI=1S/C16H10BrNO3/c1-9-2-7-12-13(19)8-14(16(20)15(12)18-9)21-11-5-3-10(17)4-6-11/h2-8H,1H3
InChIKeyCKXOOHFNPXTMNO-UHFFFAOYSA-N
XLogP3.49
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

7-(4-Fluorophenoxy)-2-methylquinoline-5,8-dione
CID 163360806
2-Methoxy-4-phenyl-5,8-quinolinedione
CID 132276245
(2Z)-2-[(6-bromo-2-pyridinyl)methylidene]-1-benzofuran-3-one
CID 138675404
3-(5-Acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
2-Methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione
CID 163360811
6-(4-Bromo-2-fluoro-phenoxy)-2-methyl-pyridine-3-carbaldehyde
CID 86611529
1-[2-(4-Bromo-2-fluorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 88265629
1-[6-(4-bromophenoxy)-2-(2-fluoropropan-2-yl)-3-pyridinyl]-2-(3H-pyrrol-3-yl)ethanone
CID 134372225
1-[6-(4-bromophenoxy)-2-(2-fluoropropan-2-yl)-3-pyridinyl]-3-(3H-pyrrol-3-yl)propan-1-one
CID 142308633
7-Bromo-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
CID 142429695
7-Bromo-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
CID 142429725
6-Methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
CID 142429737

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione?
The IUPAC name of 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione (CID 163360750) is 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione.
What is the SMILES notation for 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione?
The canonical SMILES for 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione is Cc1ccc2c(n1)C(=O)C(Oc1ccc(Br)cc1)=CC2=O.
What is the InChIKey of 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione?
The InChIKey is CKXOOHFNPXTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c1-9-2-7-12-13(19)8-14(16(20)15(12)18-9)21-11-5-3-10(17)4-6-11/h2-8H,1H3.
What are the key properties of 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione?
7-(4-bromophenoxy)-2-methylquinoline-5,8-dione has a molecular weight of 344.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenoxy)-2-methylquinoline-5,8-dione is sourced from PubChem (CID 163360750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).