3-ethoxyisoquinoline

C11H11NO — CID 640966

IUPAC3-ethoxyisoquinoline
SMILESCCOc1cc2ccccc2cn1
InChIInChI=1S/C11H11NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-8H,2H2,1H3
InChIKeyIZPZUGQJVNFYLH-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.63
Rot. Bonds2

About 3-ethoxyisoquinoline

3-ethoxyisoquinoline (PubChem CID 640966) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-ethoxyisoquinoline.

Molecular Properties

Compound Name3-ethoxyisoquinoline
PubChem CID640966
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-ethoxyisoquinoline
SMILESCCOc1cc2ccccc2cn1
InChIInChI=1S/C11H11NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-8H,2H2,1H3
InChIKeyIZPZUGQJVNFYLH-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
CID 9883104
6-Methoxyquinoline
CID 14860
2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
6,7-Dimethoxyisoquinoline
CID 177578
6-Methoxy-4-methylquinoline
CID 258761
4-Methoxyquinoline
CID 521938
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyisoquinoline?
The IUPAC name of 3-ethoxyisoquinoline (CID 640966) is 3-ethoxyisoquinoline.
What is the SMILES notation for 3-ethoxyisoquinoline?
The canonical SMILES for 3-ethoxyisoquinoline is CCOc1cc2ccccc2cn1.
What is the InChIKey of 3-ethoxyisoquinoline?
The InChIKey is IZPZUGQJVNFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxyisoquinoline?
3-ethoxyisoquinoline has a molecular weight of 173.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyisoquinoline is sourced from PubChem (CID 640966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).