6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one

C14H16BrNO — CID 907073

IUPAC6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CC(C)C
InChIInChI=1S/C14H16BrNO/c1-8(2)6-11-9(3)16-13-5-4-10(15)7-12(13)14(11)17/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyQPFJVXXVDNZUDH-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.80
Rot. Bonds2

About 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one

6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one (PubChem CID 907073) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one
PubChem CID907073
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CC(C)C
InChIInChI=1S/C14H16BrNO/c1-8(2)6-11-9(3)16-13-5-4-10(15)7-12(13)14(11)17/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyQPFJVXXVDNZUDH-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.80
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-(2-methylpropyl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one (CID 907073) is 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CC(C)C.
What is the InChIKey of 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one?
The InChIKey is QPFJVXXVDNZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-8(2)6-11-9(3)16-13-5-4-10(15)7-12(13)14(11)17/h4-5,7-8H,6H2,1-3H3,(H,16,17).
What are the key properties of 6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one?
6-bromo-2-methyl-3-(2-methylpropyl)-1H-quinolin-4-one has a molecular weight of 294.19 g/mol, XLogP of 3.80, 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-(2-methylpropyl)-1H-quinolin-4-one is sourced from PubChem (CID 907073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).