(6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone

C24H21NO3 — CID 10883191

IUPAC(6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OCc1ccccc1)C(C(=O)c1ccccc1)=NCC2
InChIInChI=1S/C24H21NO3/c1-27-21-14-19-12-13-25-23(24(26)18-10-6-3-7-11-18)20(19)15-22(21)28-16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyGAGNTYGXKUPHLK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.50
Rot. Bonds6

About (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone

(6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone (PubChem CID 10883191) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone
PubChem CID10883191
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OCc1ccccc1)C(C(=O)c1ccccc1)=NCC2
InChIInChI=1S/C24H21NO3/c1-27-21-14-19-12-13-25-23(24(26)18-10-6-3-7-11-18)20(19)15-22(21)28-16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyGAGNTYGXKUPHLK-UHFFFAOYSA-N
XLogP4.50
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone?
The IUPAC name of (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone (CID 10883191) is (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone?
The canonical SMILES for (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone is COc1cc2c(cc1OCc1ccccc1)C(C(=O)c1ccccc1)=NCC2.
What is the InChIKey of (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone?
The InChIKey is GAGNTYGXKUPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-21-14-19-12-13-25-23(24(26)18-10-6-3-7-11-18)20(19)15-22(21)28-16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone?
(6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone has a molecular weight of 371.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 10883191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).