N-(8-bromoisoquinolin-5-yl)acetamide

C11H9BrN2O — CID 18435891

IUPACN-(8-bromoisoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2cnccc12
InChIInChI=1S/C11H9BrN2O/c1-7(15)14-11-3-2-10(12)9-6-13-5-4-8(9)11/h2-6H,1H3,(H,14,15)
InChIKeyTUQKKPSUUKHWOC-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.96
Rot. Bonds1

About N-(8-bromoisoquinolin-5-yl)acetamide

N-(8-bromoisoquinolin-5-yl)acetamide (PubChem CID 18435891) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is N-(8-bromoisoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(8-bromoisoquinolin-5-yl)acetamide
PubChem CID18435891
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC NameN-(8-bromoisoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2cnccc12
InChIInChI=1S/C11H9BrN2O/c1-7(15)14-11-3-2-10(12)9-6-13-5-4-8(9)11/h2-6H,1H3,(H,14,15)
InChIKeyTUQKKPSUUKHWOC-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

N-(5-chloroisoquinolin-8-yl)acetamide
CID 119086837
(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide
CID 125138786
N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide
CID 169372757
N-(3-sulfanyl-4-pyridinyl)acetamide
CID 119086581
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-(7-bromo-1H-indol-4-yl)acetamide
CID 59051707
1-(6-bromoisoquinolin-5-yl)ethanone
CID 115046649
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
5-(8-bromophthalazin-5-yl)isoquinolin-8-ol
CID 146535420
2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
CID 167973852

Frequently Asked Questions

What is the IUPAC name of N-(8-bromoisoquinolin-5-yl)acetamide?
The IUPAC name of N-(8-bromoisoquinolin-5-yl)acetamide (CID 18435891) is N-(8-bromoisoquinolin-5-yl)acetamide.
What is the SMILES notation for N-(8-bromoisoquinolin-5-yl)acetamide?
The canonical SMILES for N-(8-bromoisoquinolin-5-yl)acetamide is CC(=O)Nc1ccc(Br)c2cnccc12.
What is the InChIKey of N-(8-bromoisoquinolin-5-yl)acetamide?
The InChIKey is TUQKKPSUUKHWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-7(15)14-11-3-2-10(12)9-6-13-5-4-8(9)11/h2-6H,1H3,(H,14,15).
What are the key properties of N-(8-bromoisoquinolin-5-yl)acetamide?
N-(8-bromoisoquinolin-5-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-(8-bromoisoquinolin-5-yl)acetamide is sourced from PubChem (CID 18435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).