4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline

C28H23NO2 — CID 25131494

IUPAC4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline
SMILESCOc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1
InChIInChI=1S/C28H23NO2/c1-30-24-10-7-19(8-11-24)13-23-14-22-15-25(31-2)12-9-20(22)16-27(23)28-18-29-17-21-5-3-4-6-26(21)28/h3-12,14-18H,13H2,1-2H3
InChIKeyPJPQHGIQKGIZJJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.66
Rot. Bonds5

About 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline

4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline (PubChem CID 25131494) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline.

Molecular Properties

Compound Name4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline
PubChem CID25131494
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline
SMILESCOc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1
InChIInChI=1S/C28H23NO2/c1-30-24-10-7-19(8-11-24)13-23-14-22-15-25(31-2)12-9-20(22)16-27(23)28-18-29-17-21-5-3-4-6-26(21)28/h3-12,14-18H,13H2,1-2H3
InChIKeyPJPQHGIQKGIZJJ-UHFFFAOYSA-N
XLogP6.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
The IUPAC name of 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline (CID 25131494) is 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline.
What is the SMILES notation for 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
The canonical SMILES for 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline is COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1.
What is the InChIKey of 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
The InChIKey is PJPQHGIQKGIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-30-24-10-7-19(8-11-24)13-23-14-22-15-25(31-2)12-9-20(22)16-27(23)28-18-29-17-21-5-3-4-6-26(21)28/h3-12,14-18H,13H2,1-2H3.
What are the key properties of 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline has a molecular weight of 405.50 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline is sourced from PubChem (CID 25131494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).