1,5-dichloro-4-ethoxyisoquinoline

C11H9Cl2NO — CID 86683274

IUPAC1,5-dichloro-4-ethoxyisoquinoline
SMILESCCOc1cnc(Cl)c2cccc(Cl)c12
InChIInChI=1S/C11H9Cl2NO/c1-2-15-9-6-14-11(13)7-4-3-5-8(12)10(7)9/h3-6H,2H2,1H3
InChIKeyDJCASNCRLLALDL-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.94
Rot. Bonds2

About 1,5-dichloro-4-ethoxyisoquinoline

1,5-dichloro-4-ethoxyisoquinoline (PubChem CID 86683274) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 1,5-dichloro-4-ethoxyisoquinoline.

Molecular Properties

Compound Name1,5-dichloro-4-ethoxyisoquinoline
PubChem CID86683274
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name1,5-dichloro-4-ethoxyisoquinoline
SMILESCCOc1cnc(Cl)c2cccc(Cl)c12
InChIInChI=1S/C11H9Cl2NO/c1-2-15-9-6-14-11(13)7-4-3-5-8(12)10(7)9/h3-6H,2H2,1H3
InChIKeyDJCASNCRLLALDL-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
1-chloro-4-ethoxy-6-methoxyisoquinoline
CID 71743057
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045
2,4-dichloro-5-ethoxypyrimidine
CID 15565270
2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine
CID 70990293
4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
2-chloro-4-ethoxynaphthalen-1-ol
CID 121473034
1-(2-chloro-6-ethoxyphenyl)ethanamine
CID 130164060
1,2-dichlorobenzene;ethoxyethane
CID 68845412
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-4-ethoxyisoquinoline?
The IUPAC name of 1,5-dichloro-4-ethoxyisoquinoline (CID 86683274) is 1,5-dichloro-4-ethoxyisoquinoline.
What is the SMILES notation for 1,5-dichloro-4-ethoxyisoquinoline?
The canonical SMILES for 1,5-dichloro-4-ethoxyisoquinoline is CCOc1cnc(Cl)c2cccc(Cl)c12.
What is the InChIKey of 1,5-dichloro-4-ethoxyisoquinoline?
The InChIKey is DJCASNCRLLALDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-2-15-9-6-14-11(13)7-4-3-5-8(12)10(7)9/h3-6H,2H2,1H3.
What are the key properties of 1,5-dichloro-4-ethoxyisoquinoline?
1,5-dichloro-4-ethoxyisoquinoline has a molecular weight of 242.10 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-4-ethoxyisoquinoline is sourced from PubChem (CID 86683274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).