8-chloro-4-methoxyisoquinoline

C10H8ClNO — CID 119083807

IUPAC8-chloro-4-methoxyisoquinoline
SMILESCOc1cncc2c(Cl)cccc12
InChIInChI=1S/C10H8ClNO/c1-13-10-6-12-5-8-7(10)3-2-4-9(8)11/h2-6H,1H3
InChIKeyAZBODTYMUGSDJA-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.90
Rot. Bonds1

About 8-chloro-4-methoxyisoquinoline

8-chloro-4-methoxyisoquinoline (PubChem CID 119083807) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 8-chloro-4-methoxyisoquinoline.

Molecular Properties

Compound Name8-chloro-4-methoxyisoquinoline
PubChem CID119083807
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name8-chloro-4-methoxyisoquinoline
SMILESCOc1cncc2c(Cl)cccc12
InChIInChI=1S/C10H8ClNO/c1-13-10-6-12-5-8-7(10)3-2-4-9(8)11/h2-6H,1H3
InChIKeyAZBODTYMUGSDJA-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-9-methoxyphenanthrene
CID 174558891
8-chloroisoquinolin-4-amine
CID 84718076
1-chloro-4-methoxynaphthalene
CID 606038
3,4-dichloro-5-methoxypyridine
CID 122362461
4-chloro-5-methoxyisoquinoline
CID 119083808
CID 57455647
CID 57455647
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
1-chloro-2-methoxybenzene
CID 13011
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
CID 168880110
7-chloro-3-methoxy-1H-indole
CID 119084271
(2-chloro-6-methoxyphenoxy)boronic acid
CID 142775747
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methoxyisoquinoline?
The IUPAC name of 8-chloro-4-methoxyisoquinoline (CID 119083807) is 8-chloro-4-methoxyisoquinoline.
What is the SMILES notation for 8-chloro-4-methoxyisoquinoline?
The canonical SMILES for 8-chloro-4-methoxyisoquinoline is COc1cncc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-4-methoxyisoquinoline?
The InChIKey is AZBODTYMUGSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-13-10-6-12-5-8-7(10)3-2-4-9(8)11/h2-6H,1H3.
What are the key properties of 8-chloro-4-methoxyisoquinoline?
8-chloro-4-methoxyisoquinoline has a molecular weight of 193.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methoxyisoquinoline is sourced from PubChem (CID 119083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).