6-bromo-2-methyl-3-propyl-1H-quinolin-4-one

C13H14BrNO — CID 826108

IUPAC6-bromo-2-methyl-3-propyl-1H-quinolin-4-one
SMILESCCCc1c(C)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C13H14BrNO/c1-3-4-10-8(2)15-12-6-5-9(14)7-11(12)13(10)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyPKWCSGIFKDUSFR-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.55
Rot. Bonds2

About 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one

6-bromo-2-methyl-3-propyl-1H-quinolin-4-one (PubChem CID 826108) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-propyl-1H-quinolin-4-one
PubChem CID826108
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name6-bromo-2-methyl-3-propyl-1H-quinolin-4-one
SMILESCCCc1c(C)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C13H14BrNO/c1-3-4-10-8(2)15-12-6-5-9(14)7-11(12)13(10)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyPKWCSGIFKDUSFR-UHFFFAOYSA-N
XLogP3.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one (CID 826108) is 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one is CCCc1c(C)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one?
The InChIKey is PKWCSGIFKDUSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-3-4-10-8(2)15-12-6-5-9(14)7-11(12)13(10)16/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one?
6-bromo-2-methyl-3-propyl-1H-quinolin-4-one has a molecular weight of 280.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-propyl-1H-quinolin-4-one is sourced from PubChem (CID 826108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).