3-bromo-1-methyl-2,3-dihydroquinolin-4-one

C10H10BrNO — CID 171063228

IUPAC3-bromo-1-methyl-2,3-dihydroquinolin-4-one
SMILESCN1CC(Br)C(=O)c2ccccc21
InChIInChI=1S/C10H10BrNO/c1-12-6-8(11)10(13)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3
InChIKeyMJLFJBAENIZXSM-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.08
Rot. Bonds

About 3-bromo-1-methyl-2,3-dihydroquinolin-4-one

3-bromo-1-methyl-2,3-dihydroquinolin-4-one (PubChem CID 171063228) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-1-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name3-bromo-1-methyl-2,3-dihydroquinolin-4-one
PubChem CID171063228
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-1-methyl-2,3-dihydroquinolin-4-one
SMILESCN1CC(Br)C(=O)c2ccccc21
InChIInChI=1S/C10H10BrNO/c1-12-6-8(11)10(13)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3
InChIKeyMJLFJBAENIZXSM-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one
CID 40508089
1-methyl-2H-indol-3-one
CID 10125067
4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 24973063
3-bromo-1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
CID 45024476
2-methyl-1,5-dioxo-3,4-dihydro-2-benzazepine-4-carbonitrile
CID 67893857
(6aS,7S)-5-methyl-7-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 163507926
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine
CID 3756042
(3S)-3-[(4-chlorophenyl)methyl]-1-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 126642033
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
28-methyl-28-azatricyclo[18.9.0.022,27]nonacosa-22,24,26-triene
CID 166968501

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 3-bromo-1-methyl-2,3-dihydroquinolin-4-one (CID 171063228) is 3-bromo-1-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 3-bromo-1-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 3-bromo-1-methyl-2,3-dihydroquinolin-4-one is CN1CC(Br)C(=O)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is MJLFJBAENIZXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-6-8(11)10(13)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3.
What are the key properties of 3-bromo-1-methyl-2,3-dihydroquinolin-4-one?
3-bromo-1-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 240.10 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 171063228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).