N-(7-bromoisoquinolin-3-yl)acetamide

C11H9BrN2O — CID 143763768

IUPACN-(7-bromoisoquinolin-3-yl)acetamide
SMILESCC(=O)Nc1cc2ccc(Br)cc2cn1
InChIInChI=1S/C11H9BrN2O/c1-7(15)14-11-5-8-2-3-10(12)4-9(8)6-13-11/h2-6H,1H3,(H,13,14,15)
InChIKeyNUYMJNGFJCBRHO-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.96
Rot. Bonds1

About N-(7-bromoisoquinolin-3-yl)acetamide

N-(7-bromoisoquinolin-3-yl)acetamide (PubChem CID 143763768) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is N-(7-bromoisoquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(7-bromoisoquinolin-3-yl)acetamide
PubChem CID143763768
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC NameN-(7-bromoisoquinolin-3-yl)acetamide
SMILESCC(=O)Nc1cc2ccc(Br)cc2cn1
InChIInChI=1S/C11H9BrN2O/c1-7(15)14-11-5-8-2-3-10(12)4-9(8)6-13-11/h2-6H,1H3,(H,13,14,15)
InChIKeyNUYMJNGFJCBRHO-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dibromoisoquinoline
CID 121231774
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
N-acetyl-6-bromonaphthalene-2-carboxamide
CID 115353964
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
7-bromo-3-methoxyisoquinoline
CID 67491766
N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 175342472
2,6-dibromonaphthalene
CID 640591
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
N-(3-bromoquinolin-6-yl)acetamide
CID 15378467
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745

Frequently Asked Questions

What is the IUPAC name of N-(7-bromoisoquinolin-3-yl)acetamide?
The IUPAC name of N-(7-bromoisoquinolin-3-yl)acetamide (CID 143763768) is N-(7-bromoisoquinolin-3-yl)acetamide.
What is the SMILES notation for N-(7-bromoisoquinolin-3-yl)acetamide?
The canonical SMILES for N-(7-bromoisoquinolin-3-yl)acetamide is CC(=O)Nc1cc2ccc(Br)cc2cn1.
What is the InChIKey of N-(7-bromoisoquinolin-3-yl)acetamide?
The InChIKey is NUYMJNGFJCBRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-7(15)14-11-5-8-2-3-10(12)4-9(8)6-13-11/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-(7-bromoisoquinolin-3-yl)acetamide?
N-(7-bromoisoquinolin-3-yl)acetamide has a molecular weight of 265.11 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromoisoquinolin-3-yl)acetamide is sourced from PubChem (CID 143763768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).