6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline

C25H31NO3 — CID 24945105

IUPAC6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(CCCC1=CCCc3c(OC)cccc31)CC2
InChIInChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,7,9,11,15-16H,4,6,8,10,12-14,17H2,1-3H3
InChIKeyBKLBMMUVHQYDCN-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.88
Rot. Bonds7

About 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 24945105) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline
PubChem CID24945105
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(CCCC1=CCCc3c(OC)cccc31)CC2
InChIInChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,7,9,11,15-16H,4,6,8,10,12-14,17H2,1-3H3
InChIKeyBKLBMMUVHQYDCN-UHFFFAOYSA-N
XLogP4.88
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline (CID 24945105) is 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(CCCC1=CCCc3c(OC)cccc31)CC2.
What is the InChIKey of 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is BKLBMMUVHQYDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,7,9,11,15-16H,4,6,8,10,12-14,17H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 393.53 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 24945105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).