6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one

C13H12BrNO — CID 621787

IUPAC6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one
SMILESC=CCc1c(C)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C13H12BrNO/c1-3-4-10-8(2)15-12-6-5-9(14)7-11(12)13(10)16/h3,5-7H,1,4H2,2H3,(H,15,16)
InChIKeyZDMUEXMESAGKQQ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.33
Rot. Bonds2

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

6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one (PubChem CID 621787) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one
PubChem CID621787
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one
SMILESC=CCc1c(C)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C13H12BrNO/c1-3-4-10-8(2)15-12-6-5-9(14)7-11(12)13(10)16/h3,5-7H,1,4H2,2H3,(H,15,16)
InChIKeyZDMUEXMESAGKQQ-UHFFFAOYSA-N
XLogP3.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Bromoisatin
CID 6889
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
1,2,3,4-Tetrahydroacridone
CID 95996
2,3-Dimethylquinolin-4-OL
CID 237396
2-N-Nonyl-4-Quinolone
CID 9856730
2-Heptyl-3-methyl-1H-quinolin-4-one
CID 599666
11H-Cyclohepta(b)quinolin-11-one, 5,6,7,8,9,10-hexahydro-
CID 21282

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one (CID 621787) is 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one is C=CCc1c(C)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one?
The InChIKey is ZDMUEXMESAGKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-3-4-10-8(2)15-12-6-5-9(14)7-11(12)13(10)16/h3,5-7H,1,4H2,2H3,(H,15,16).
What are the key properties of 6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one?
6-bromo-2-methyl-3-prop-2-enyl-1H-quinolin-4-one has a molecular weight of 278.15 g/mol, XLogP of 3.33, 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-prop-2-enyl-1H-quinolin-4-one is sourced from PubChem (CID 621787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).