4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one

C10H12BrNO — CID 118021767

IUPAC4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
SMILESCn1cc(Br)c2c(c1=O)CCCC2
InChIInChI=1S/C10H12BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h6H,2-5H2,1H3
InChIKeyKOXKTWXQQGHROI-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.03
Rot. Bonds

About 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one

4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one (PubChem CID 118021767) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
PubChem CID118021767
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
SMILESCn1cc(Br)c2c(c1=O)CCCC2
InChIInChI=1S/C10H12BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h6H,2-5H2,1H3
InChIKeyKOXKTWXQQGHROI-UHFFFAOYSA-N
XLogP2.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane
CID 154671597
4-bromo-2-(3-methoxypropyl)-5,6,7,8-tetrahydroisoquinolin-1-one
CID 138046992
8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 154671801
8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione
CID 157433865
4-bromo-2-[(5-fluoro-2-pyridinyl)methyl]-5,6,7,8-tetrahydroisoquinolin-1-one
CID 138005877
2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
CID 14732816
4-bromo-1,3,5-trimethylpyridin-2-one
CID 67813387
4-bromo-2,5-dimethylisoquinolin-1-one
CID 134258730
N-[5-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)cyclohexa-1,5-dien-3-yn-1-yl]methanesulfonamide
CID 122633730
methyl (E)-4-[(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonyl)amino]but-2-enoate
CID 167813098
N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide
CID 167821213
5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one
CID 145148226

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one?
The IUPAC name of 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one (CID 118021767) is 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one.
What is the SMILES notation for 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one?
The canonical SMILES for 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one is Cn1cc(Br)c2c(c1=O)CCCC2.
What is the InChIKey of 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one?
The InChIKey is KOXKTWXQQGHROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h6H,2-5H2,1H3.
What are the key properties of 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one?
4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one has a molecular weight of 242.12 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one is sourced from PubChem (CID 118021767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).