6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one

C13H15BrN2O — CID 702810

IUPAC6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C
InChIInChI=1S/C13H15BrN2O/c1-8-11(7-16(2)3)13(17)10-6-9(14)4-5-12(10)15-8/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyGFWNVHFCYQSSIU-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.66
Rot. Bonds2

About 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one

6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one (PubChem CID 702810) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one
PubChem CID702810
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C
InChIInChI=1S/C13H15BrN2O/c1-8-11(7-16(2)3)13(17)10-6-9(14)4-5-12(10)15-8/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyGFWNVHFCYQSSIU-UHFFFAOYSA-N
XLogP2.66
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one (CID 702810) is 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C.
What is the InChIKey of 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is GFWNVHFCYQSSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-11(7-16(2)3)13(17)10-6-9(14)4-5-12(10)15-8/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one?
6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 295.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(dimethylamino)methyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 702810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).