6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one

C10H10BrNO — CID 58296529

IUPAC6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESCC1C(=O)NCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c1-6-9-4-8(11)3-2-7(9)5-12-10(6)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyRFNPZXTXHHIFHO-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.18
Rot. Bonds

About 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one

6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 58296529) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID58296529
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESCC1C(=O)NCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c1-6-9-4-8(11)3-2-7(9)5-12-10(6)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyRFNPZXTXHHIFHO-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-5-methyl-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 86041696
6-bromo-4-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2,4-dihydro-1H-isoquinolin-3-one
CID 90710514
6-bromo-2,3-dihydroisoindol-1-one
CID 22220919
6-bromo-2,3-dihydroisoindol-1-one;cyclohexane
CID 168914120
(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 129390154
3-(5-bromo-2-fluorophenyl)piperazin-2-one
CID 62349992
6-bromo-2,3-dihydro-1H-indole
CID 13098379
7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 70875781
8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84728011
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397
6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
CID 79725428
(3R)-5-bromo-3-methyl-2,3-dihydroisoindol-1-one
CID 146160555

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one (CID 58296529) is 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one is CC1C(=O)NCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is RFNPZXTXHHIFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-9-4-8(11)3-2-7(9)5-12-10(6)13/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one?
6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 240.10 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 58296529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).