7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one

C11H10BrNO2 — CID 12807892

IUPAC7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
SMILESCn1cc(CO)c(=O)c2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO2/c1-13-5-7(6-14)11(15)9-3-2-8(12)4-10(9)13/h2-5,14H,6H2,1H3
InChIKeyBDNCOUZITJURJK-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.79
Rot. Bonds1

About 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one

7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one (PubChem CID 12807892) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
PubChem CID12807892
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
SMILESCn1cc(CO)c(=O)c2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO2/c1-13-5-7(6-14)11(15)9-3-2-8(12)4-10(9)13/h2-5,14H,6H2,1H3
InChIKeyBDNCOUZITJURJK-UHFFFAOYSA-N
XLogP1.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one?
The IUPAC name of 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one (CID 12807892) is 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one.
What is the SMILES notation for 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one?
The canonical SMILES for 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one is Cn1cc(CO)c(=O)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one?
The InChIKey is BDNCOUZITJURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-13-5-7(6-14)11(15)9-3-2-8(12)4-10(9)13/h2-5,14H,6H2,1H3.
What are the key properties of 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one?
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one has a molecular weight of 268.11 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one is sourced from PubChem (CID 12807892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).