6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline

C23H25NO2 — CID 44570649

IUPAC6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)N(c1cccc3ccccc13)C(C)C2
InChIInChI=1S/C23H25NO2/c1-15-12-18-13-19(25-3)14-22(26-4)23(18)16(2)24(15)21-11-7-9-17-8-5-6-10-20(17)21/h5-11,13-16H,12H2,1-4H3
InChIKeyHWSHIXIKQKOUBE-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.37
Rot. Bonds3

About 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline

6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 44570649) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline
PubChem CID44570649
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)N(c1cccc3ccccc13)C(C)C2
InChIInChI=1S/C23H25NO2/c1-15-12-18-13-19(25-3)14-22(26-4)23(18)16(2)24(15)21-11-7-9-17-8-5-6-10-20(17)21/h5-11,13-16H,12H2,1-4H3
InChIKeyHWSHIXIKQKOUBE-UHFFFAOYSA-N
XLogP5.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline (CID 44570649) is 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline is COc1cc2c(c(OC)c1)C(C)N(c1cccc3ccccc13)C(C)C2.
What is the InChIKey of 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HWSHIXIKQKOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-15-12-18-13-19(25-3)14-22(26-4)23(18)16(2)24(15)21-11-7-9-17-8-5-6-10-20(17)21/h5-11,13-16H,12H2,1-4H3.
What are the key properties of 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline?
6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 347.46 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 44570649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).