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

C11H9ClN2O — CID 119086837

IUPACN-(5-chloroisoquinolin-8-yl)acetamide
SMILESCC(=O)Nc1ccc(Cl)c2ccncc12
InChIInChI=1S/C11H9ClN2O/c1-7(15)14-11-3-2-10(12)8-4-5-13-6-9(8)11/h2-6H,1H3,(H,14,15)
InChIKeyFODAJJJYOLHYNK-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.85
Rot. Bonds1

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

N-(5-chloroisoquinolin-8-yl)acetamide (PubChem CID 119086837) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is N-(5-chloroisoquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloroisoquinolin-8-yl)acetamide
PubChem CID119086837
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC NameN-(5-chloroisoquinolin-8-yl)acetamide
SMILESCC(=O)Nc1ccc(Cl)c2ccncc12
InChIInChI=1S/C11H9ClN2O/c1-7(15)14-11-3-2-10(12)8-4-5-13-6-9(8)11/h2-6H,1H3,(H,14,15)
InChIKeyFODAJJJYOLHYNK-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
(2R)-2-methoxy-N-[8-[[(2R)-2-methoxypropanoyl]amino]isoquinolin-5-yl]propanamide
CID 125138786
N-[3,4-dichloro-2-(isoquinolin-5-yloxymethyl)phenyl]acetamide
CID 86198865
N-(3-sulfanyl-4-pyridinyl)acetamide
CID 119086581
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-[4-chloro-3-(isoquinolin-5-yloxymethyl)-2-methylsulfanylphenyl]acetamide
CID 139761528
2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
CID 167973852
N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 103670335
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
8-chloro-5-nitroisoquinoline
CID 53420876
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
8-chloro-5-fluoroisoquinoline
CID 124707448

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroisoquinolin-8-yl)acetamide?
The IUPAC name of N-(5-chloroisoquinolin-8-yl)acetamide (CID 119086837) is N-(5-chloroisoquinolin-8-yl)acetamide.
What is the SMILES notation for N-(5-chloroisoquinolin-8-yl)acetamide?
The canonical SMILES for N-(5-chloroisoquinolin-8-yl)acetamide is CC(=O)Nc1ccc(Cl)c2ccncc12.
What is the InChIKey of N-(5-chloroisoquinolin-8-yl)acetamide?
The InChIKey is FODAJJJYOLHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7(15)14-11-3-2-10(12)8-4-5-13-6-9(8)11/h2-6H,1H3,(H,14,15).
What are the key properties of N-(5-chloroisoquinolin-8-yl)acetamide?
N-(5-chloroisoquinolin-8-yl)acetamide has a molecular weight of 220.66 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroisoquinolin-8-yl)acetamide is sourced from PubChem (CID 119086837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).