2-ethoxy-3H-isoquinoline

C11H13NO — CID 21052215

IUPAC2-ethoxy-3H-isoquinoline
SMILESCCON1C=c2ccccc2=CC1
InChIInChI=1S/C11H13NO/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-7,9H,2,8H2,1H3
InChIKeyHDHSINLUAKSLDN-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.47
Rot. Bonds2

About 2-ethoxy-3H-isoquinoline

2-ethoxy-3H-isoquinoline (PubChem CID 21052215) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-ethoxy-3H-isoquinoline.

Molecular Properties

Compound Name2-ethoxy-3H-isoquinoline
PubChem CID21052215
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-ethoxy-3H-isoquinoline
SMILESCCON1C=c2ccccc2=CC1
InChIInChI=1S/C11H13NO/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-7,9H,2,8H2,1H3
InChIKeyHDHSINLUAKSLDN-UHFFFAOYSA-N
XLogP0.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethoxy-3H-isoquinoline
CID 57292891
1-ethoxy-5-methyl-2H-pyridine
CID 70283083
1-ethoxy-8aH-quinoline
CID 89563240
4-cyclohexa-1,5-dien-1-yl-1-ethoxy-2H-pyridine
CID 89563256
4-ethenyl-1-ethoxy-2H-pyridine
CID 158457470
6-ethyl-2-methyl-3H-oxazepine
CID 163503241
2,3,7-trimethyl-2-oxido-3H-isoquinolin-2-ium
CID 164131934
4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide
CID 172740116
4-(2-Cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine
CID 136861671
5-ethyl-1-methoxy-2H-pyridine
CID 142096028
1-methoxy-4-methyl-8aH-quinoline
CID 143399369
1-methoxy-3-methyl-8aH-quinoline
CID 143399380

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3H-isoquinoline?
The IUPAC name of 2-ethoxy-3H-isoquinoline (CID 21052215) is 2-ethoxy-3H-isoquinoline.
What is the SMILES notation for 2-ethoxy-3H-isoquinoline?
The canonical SMILES for 2-ethoxy-3H-isoquinoline is CCON1C=c2ccccc2=CC1.
What is the InChIKey of 2-ethoxy-3H-isoquinoline?
The InChIKey is HDHSINLUAKSLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-ethoxy-3H-isoquinoline?
2-ethoxy-3H-isoquinoline has a molecular weight of 175.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3H-isoquinoline is sourced from PubChem (CID 21052215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).