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

C24H25NO6 — CID 5045238

IUPAC[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(COc1ccccc1OC)N(C(=O)c1ccco1)CC2
InChIInChI=1S/C24H25NO6/c1-27-19-7-4-5-8-20(19)31-15-18-17-14-23(29-3)22(28-2)13-16(17)10-11-25(18)24(26)21-9-6-12-30-21/h4-9,12-14,18H,10-11,15H2,1-3H3
InChIKeyNRLIVVCIIHYQEN-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.12
Rot. Bonds7

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

[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone (PubChem CID 5045238) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone
PubChem CID5045238
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(COc1ccccc1OC)N(C(=O)c1ccco1)CC2
InChIInChI=1S/C24H25NO6/c1-27-19-7-4-5-8-20(19)31-15-18-17-14-23(29-3)22(28-2)13-16(17)10-11-25(18)24(26)21-9-6-12-30-21/h4-9,12-14,18H,10-11,15H2,1-3H3
InChIKeyNRLIVVCIIHYQEN-UHFFFAOYSA-N
XLogP4.12
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone (CID 5045238) is [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone is COc1cc2c(cc1OC)C(COc1ccccc1OC)N(C(=O)c1ccco1)CC2.
What is the InChIKey of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone?
The InChIKey is NRLIVVCIIHYQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-27-19-7-4-5-8-20(19)31-15-18-17-14-23(29-3)22(28-2)13-16(17)10-11-25(18)24(26)21-9-6-12-30-21/h4-9,12-14,18H,10-11,15H2,1-3H3.
What are the key properties of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone?
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone has a molecular weight of 423.47 g/mol, XLogP of 4.12, 7 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]-(furan-2-yl)methanone is sourced from PubChem (CID 5045238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).