4,5-dichloro-1-methoxy-3-methylisoquinoline

C11H9Cl2NO — CID 84703122

IUPAC4,5-dichloro-1-methoxy-3-methylisoquinoline
SMILESCOc1nc(C)c(Cl)c2c(Cl)cccc12
InChIInChI=1S/C11H9Cl2NO/c1-6-10(13)9-7(11(14-6)15-2)4-3-5-8(9)12/h3-5H,1-2H3
InChIKeySCPGSXBUJODPAW-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.86
Rot. Bonds1

About 4,5-dichloro-1-methoxy-3-methylisoquinoline

4,5-dichloro-1-methoxy-3-methylisoquinoline (PubChem CID 84703122) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 4,5-dichloro-1-methoxy-3-methylisoquinoline.

Molecular Properties

Compound Name4,5-dichloro-1-methoxy-3-methylisoquinoline
PubChem CID84703122
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name4,5-dichloro-1-methoxy-3-methylisoquinoline
SMILESCOc1nc(C)c(Cl)c2c(Cl)cccc12
InChIInChI=1S/C11H9Cl2NO/c1-6-10(13)9-7(11(14-6)15-2)4-3-5-8(9)12/h3-5H,1-2H3
InChIKeySCPGSXBUJODPAW-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-4-methoxyquinazoline-2-carbaldehyde
CID 84788775
5-chloro-4-methoxyquinazolin-2-amine
CID 84780949
6-chloro-1-methoxy-3-methylisoquinolin-4-amine
CID 84687979
1-methoxy-3-methylisoquinolin-5-ol
CID 84661934
1-methoxy-3-methylisoquinoline
CID 66489764
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine
CID 175347776
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
5-bromo-1,3-dimethoxyisoquinoline
CID 67310160
1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline
CID 13266613
8-chloro-3-methoxyquinoxalin-2-amine
CID 130019110

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methoxy-3-methylisoquinoline?
The IUPAC name of 4,5-dichloro-1-methoxy-3-methylisoquinoline (CID 84703122) is 4,5-dichloro-1-methoxy-3-methylisoquinoline.
What is the SMILES notation for 4,5-dichloro-1-methoxy-3-methylisoquinoline?
The canonical SMILES for 4,5-dichloro-1-methoxy-3-methylisoquinoline is COc1nc(C)c(Cl)c2c(Cl)cccc12.
What is the InChIKey of 4,5-dichloro-1-methoxy-3-methylisoquinoline?
The InChIKey is SCPGSXBUJODPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-10(13)9-7(11(14-6)15-2)4-3-5-8(9)12/h3-5H,1-2H3.
What are the key properties of 4,5-dichloro-1-methoxy-3-methylisoquinoline?
4,5-dichloro-1-methoxy-3-methylisoquinoline has a molecular weight of 242.10 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methoxy-3-methylisoquinoline is sourced from PubChem (CID 84703122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).