3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one

C10H10BrNO — CID 130137705

IUPAC3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1cccc2c1NCC(Br)C2=O
InChIInChI=1S/C10H10BrNO/c1-6-3-2-4-7-9(6)12-5-8(11)10(7)13/h2-4,8,12H,5H2,1H3
InChIKeyTZBCBILMIPYKOQ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.37
Rot. Bonds

About 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one

3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 130137705) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID130137705
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1cccc2c1NCC(Br)C2=O
InChIInChI=1S/C10H10BrNO/c1-6-3-2-4-7-9(6)12-5-8(11)10(7)13/h2-4,8,12H,5H2,1H3
InChIKeyTZBCBILMIPYKOQ-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.37
H-Bond Donors ≤ 51
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-8-methyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one (CID 130137705) is 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one is Cc1cccc2c1NCC(Br)C2=O.
What is the InChIKey of 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is TZBCBILMIPYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-3-2-4-7-9(6)12-5-8(11)10(7)13/h2-4,8,12H,5H2,1H3.
What are the key properties of 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one?
3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 240.10 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 130137705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).