(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

C24H23NO3 — CID 2938371

IUPAC(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccccc1)CC2
InChIInChI=1S/C24H23NO3/c1-27-21-15-19-13-14-25(24(26)18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)20(19)16-22(21)28-2/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyXQBUHJANSZAYFB-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.49
Rot. Bonds4

About (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (PubChem CID 2938371) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
PubChem CID2938371
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccccc1)CC2
InChIInChI=1S/C24H23NO3/c1-27-21-15-19-13-14-25(24(26)18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)20(19)16-22(21)28-2/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyXQBUHJANSZAYFB-UHFFFAOYSA-N
XLogP4.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The IUPAC name of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (CID 2938371) is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccccc1)CC2.
What is the InChIKey of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The InChIKey is XQBUHJANSZAYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-21-15-19-13-14-25(24(26)18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)20(19)16-22(21)28-2/h3-12,15-16,23H,13-14H2,1-2H3.
What are the key properties of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone has a molecular weight of 373.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 2938371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).