3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone

C26H26N2O — CID 1208555

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C26H26N2O/c29-26(28-16-14-22-6-2-4-8-25(22)19-28)23-11-9-20(10-12-23)17-27-15-13-21-5-1-3-7-24(21)18-27/h1-12H,13-19H2
InChIKeyPRRMPCMPCZIXTN-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.44
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone (PubChem CID 1208555) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
PubChem CID1208555
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C26H26N2O/c29-26(28-16-14-22-6-2-4-8-25(22)19-28)23-11-9-20(10-12-23)17-27-15-13-21-5-1-3-7-24(21)18-27/h1-12H,13-19H2
InChIKeyPRRMPCMPCZIXTN-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone (CID 1208555) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The InChIKey is PRRMPCMPCZIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(28-16-14-22-6-2-4-8-25(22)19-28)23-11-9-20(10-12-23)17-27-15-13-21-5-1-3-7-24(21)18-27/h1-12H,13-19H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone has a molecular weight of 382.51 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is sourced from PubChem (CID 1208555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).