(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

C24H23NO — CID 24901530

IUPAC(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCc1ccc2c(c1C)CN(C(=O)c1ccccc1)CC2c1ccccc1
InChIInChI=1S/C24H23NO/c1-17-13-14-21-22(18(17)2)15-25(24(26)20-11-7-4-8-12-20)16-23(21)19-9-5-3-6-10-19/h3-14,23H,15-16H2,1-2H3
InChIKeyYCMUPXOCXDCLCL-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.09
Rot. Bonds2

About (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (PubChem CID 24901530) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
PubChem CID24901530
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCc1ccc2c(c1C)CN(C(=O)c1ccccc1)CC2c1ccccc1
InChIInChI=1S/C24H23NO/c1-17-13-14-21-22(18(17)2)15-25(24(26)20-11-7-4-8-12-20)16-23(21)19-9-5-3-6-10-19/h3-14,23H,15-16H2,1-2H3
InChIKeyYCMUPXOCXDCLCL-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The IUPAC name of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (CID 24901530) is (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is Cc1ccc2c(c1C)CN(C(=O)c1ccccc1)CC2c1ccccc1.
What is the InChIKey of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The InChIKey is YCMUPXOCXDCLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-17-13-14-21-22(18(17)2)15-25(24(26)20-11-7-4-8-12-20)16-23(21)19-9-5-3-6-10-19/h3-14,23H,15-16H2,1-2H3.
What are the key properties of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone has a molecular weight of 341.45 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 24901530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).