8-bromo-2,3-dimethyl-1H-quinolin-4-one

C11H10BrNO — CID 60995686

IUPAC8-bromo-2,3-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Br)cccc2c(=O)c1C
InChIInChI=1S/C11H10BrNO/c1-6-7(2)13-10-8(11(6)14)4-3-5-9(10)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBIURKHUJGDVZMK-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.91
Rot. Bonds

About 8-bromo-2,3-dimethyl-1H-quinolin-4-one

8-bromo-2,3-dimethyl-1H-quinolin-4-one (PubChem CID 60995686) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 8-bromo-2,3-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-2,3-dimethyl-1H-quinolin-4-one
PubChem CID60995686
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name8-bromo-2,3-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Br)cccc2c(=O)c1C
InChIInChI=1S/C11H10BrNO/c1-6-7(2)13-10-8(11(6)14)4-3-5-9(10)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBIURKHUJGDVZMK-UHFFFAOYSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3-dimethyl-1H-quinolin-4-one?
The IUPAC name of 8-bromo-2,3-dimethyl-1H-quinolin-4-one (CID 60995686) is 8-bromo-2,3-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-2,3-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-2,3-dimethyl-1H-quinolin-4-one is Cc1[nH]c2c(Br)cccc2c(=O)c1C.
What is the InChIKey of 8-bromo-2,3-dimethyl-1H-quinolin-4-one?
The InChIKey is BIURKHUJGDVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-6-7(2)13-10-8(11(6)14)4-3-5-9(10)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 8-bromo-2,3-dimethyl-1H-quinolin-4-one?
8-bromo-2,3-dimethyl-1H-quinolin-4-one has a molecular weight of 252.11 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 60995686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).