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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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).