6,7-bis(phenylmethoxy)isoquinoline

C23H19NO2 — CID 14151864

IUPAC6,7-bis(phenylmethoxy)isoquinoline
SMILESc1ccc(COc2cc3ccncc3cc2OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO2/c1-3-7-18(8-4-1)16-25-22-13-20-11-12-24-15-21(20)14-23(22)26-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyAJQZFQLHROOSDD-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.39
Rot. Bonds6

About 6,7-bis(phenylmethoxy)isoquinoline

6,7-bis(phenylmethoxy)isoquinoline (PubChem CID 14151864) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6,7-bis(phenylmethoxy)isoquinoline.

Molecular Properties

Compound Name6,7-bis(phenylmethoxy)isoquinoline
PubChem CID14151864
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name6,7-bis(phenylmethoxy)isoquinoline
SMILESc1ccc(COc2cc3ccncc3cc2OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO2/c1-3-7-18(8-4-1)16-25-22-13-20-11-12-24-15-21(20)14-23(22)26-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyAJQZFQLHROOSDD-UHFFFAOYSA-N
XLogP5.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-6-phenylmethoxyisoquinoline
CID 67402699
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-phenylmethoxy-4-propylpyridine
CID 154694939
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
7-benzylisoquinoline
CID 21192449
8-bromo-5-phenylmethoxyisoquinoline
CID 69449029
3-(isoquinolin-7-yloxymethyl)benzoic acid
CID 155153998
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
8-phenylmethoxyquinazoline
CID 171373765
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(phenylmethoxy)isoquinoline?
The IUPAC name of 6,7-bis(phenylmethoxy)isoquinoline (CID 14151864) is 6,7-bis(phenylmethoxy)isoquinoline.
What is the SMILES notation for 6,7-bis(phenylmethoxy)isoquinoline?
The canonical SMILES for 6,7-bis(phenylmethoxy)isoquinoline is c1ccc(COc2cc3ccncc3cc2OCc2ccccc2)cc1.
What is the InChIKey of 6,7-bis(phenylmethoxy)isoquinoline?
The InChIKey is AJQZFQLHROOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-3-7-18(8-4-1)16-25-22-13-20-11-12-24-15-21(20)14-23(22)26-17-19-9-5-2-6-10-19/h1-15H,16-17H2.
What are the key properties of 6,7-bis(phenylmethoxy)isoquinoline?
6,7-bis(phenylmethoxy)isoquinoline has a molecular weight of 341.41 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(phenylmethoxy)isoquinoline is sourced from PubChem (CID 14151864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).