6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline

C21H16N2O — CID 42618161

IUPAC6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline
SMILESc1ccc(-c2cc3ccncc3cc2OCc2cccnc2)cc1
InChIInChI=1S/C21H16N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-14H,15H2
InChIKeyGICYSARMNVCHON-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.88
Rot. Bonds4

About 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline

6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline (PubChem CID 42618161) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline.

Molecular Properties

Compound Name6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline
PubChem CID42618161
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline
SMILESc1ccc(-c2cc3ccncc3cc2OCc2cccnc2)cc1
InChIInChI=1S/C21H16N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-14H,15H2
InChIKeyGICYSARMNVCHON-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Palmatine Chloride
CID 73442
2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate
CID 16212317
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline?
The IUPAC name of 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline (CID 42618161) is 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline.
What is the SMILES notation for 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline?
The canonical SMILES for 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline is c1ccc(-c2cc3ccncc3cc2OCc2cccnc2)cc1.
What is the InChIKey of 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline?
The InChIKey is GICYSARMNVCHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-14H,15H2.
What are the key properties of 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline?
6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline has a molecular weight of 312.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-(pyridin-3-ylmethoxy)isoquinoline is sourced from PubChem (CID 42618161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).