[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone

C27H29NO6 — CID 5197267

IUPAC[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2COc2ccccc2OC)cc1
InChIInChI=1S/C27H29NO6/c1-30-20-11-9-18(10-12-20)27(29)28-14-13-19-15-25(32-3)26(33-4)16-21(19)22(28)17-34-24-8-6-5-7-23(24)31-2/h5-12,15-16,22H,13-14,17H2,1-4H3
InChIKeyNDAQUPITFDIBDY-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.54
Rot. Bonds8

About [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone

[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 5197267) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone
PubChem CID5197267
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2COc2ccccc2OC)cc1
InChIInChI=1S/C27H29NO6/c1-30-20-11-9-18(10-12-20)27(29)28-14-13-19-15-25(32-3)26(33-4)16-21(19)22(28)17-34-24-8-6-5-7-23(24)31-2/h5-12,15-16,22H,13-14,17H2,1-4H3
InChIKeyNDAQUPITFDIBDY-UHFFFAOYSA-N
XLogP4.54
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone 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-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone (CID 5197267) is [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2COc2ccccc2OC)cc1.
What is the InChIKey of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NDAQUPITFDIBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO6/c1-30-20-11-9-18(10-12-20)27(29)28-14-13-19-15-25(32-3)26(33-4)16-21(19)22(28)17-34-24-8-6-5-7-23(24)31-2/h5-12,15-16,22H,13-14,17H2,1-4H3.
What are the key properties of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone?
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 463.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 5197267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).