1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline

C24H25FN2O2 — CID 16676264

IUPAC1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1F)N(Cc1ccncc1C)CC2
InChIInChI=1S/C24H25FN2O2/c1-16-14-26-10-8-18(16)15-27-11-9-17-12-22(28-2)23(29-3)13-20(17)24(27)19-6-4-5-7-21(19)25/h4-8,10,12-14,24H,9,11,15H2,1-3H3
InChIKeyJGHNATADMHVGPY-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline

1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 16676264) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID16676264
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1F)N(Cc1ccncc1C)CC2
InChIInChI=1S/C24H25FN2O2/c1-16-14-26-10-8-18(16)15-27-11-9-17-12-22(28-2)23(29-3)13-20(17)24(27)19-6-4-5-7-21(19)25/h4-8,10,12-14,24H,9,11,15H2,1-3H3
InChIKeyJGHNATADMHVGPY-UHFFFAOYSA-N
XLogP4.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 16676264) is 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1ccccc1F)N(Cc1ccncc1C)CC2.
What is the InChIKey of 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is JGHNATADMHVGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-14-26-10-8-18(16)15-27-11-9-17-12-22(28-2)23(29-3)13-20(17)24(27)19-6-4-5-7-21(19)25/h4-8,10,12-14,24H,9,11,15H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline?
1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 392.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 16676264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).