4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline

C21H21NO — CID 68995575

IUPAC4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline
SMILESCOC1(c2ccc3ccccc3c2)CN(C)Cc2ccccc21
InChIInChI=1S/C21H21NO/c1-22-14-18-9-5-6-10-20(18)21(15-22,23-2)19-12-11-16-7-3-4-8-17(16)13-19/h3-13H,14-15H2,1-2H3
InChIKeyVGMBBROINOZNNC-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.18
Rot. Bonds2

About 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline

4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline (PubChem CID 68995575) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline
PubChem CID68995575
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline
SMILESCOC1(c2ccc3ccccc3c2)CN(C)Cc2ccccc21
InChIInChI=1S/C21H21NO/c1-22-14-18-9-5-6-10-20(18)21(15-22,23-2)19-12-11-16-7-3-4-8-17(16)13-19/h3-13H,14-15H2,1-2H3
InChIKeyVGMBBROINOZNNC-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline?
The IUPAC name of 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline (CID 68995575) is 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline.
What is the SMILES notation for 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline?
The canonical SMILES for 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline is COC1(c2ccc3ccccc3c2)CN(C)Cc2ccccc21.
What is the InChIKey of 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline?
The InChIKey is VGMBBROINOZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-14-18-9-5-6-10-20(18)21(15-22,23-2)19-12-11-16-7-3-4-8-17(16)13-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline?
4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline has a molecular weight of 303.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline is sourced from PubChem (CID 68995575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).