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

C22H26N2O2 — CID 24901537

IUPAC(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2c(c1C)CN(C(=O)N1CCOCC1)CC2c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16-8-9-19-20(17(16)2)14-24(22(25)23-10-12-26-13-11-23)15-21(19)18-6-4-3-5-7-18/h3-9,21H,10-15H2,1-2H3
InChIKeyVWCKJFFQQRCDKT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.70
Rot. Bonds1

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

(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 24901537) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID24901537
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2c(c1C)CN(C(=O)N1CCOCC1)CC2c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16-8-9-19-20(17(16)2)14-24(22(25)23-10-12-26-13-11-23)15-21(19)18-6-4-3-5-7-18/h3-9,21H,10-15H2,1-2H3
InChIKeyVWCKJFFQQRCDKT-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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)-morpholin-4-ylmethanone?
The IUPAC name of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone (CID 24901537) is (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone is Cc1ccc2c(c1C)CN(C(=O)N1CCOCC1)CC2c1ccccc1.
What is the InChIKey of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is VWCKJFFQQRCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-8-9-19-20(17(16)2)14-24(22(25)23-10-12-26-13-11-23)15-21(19)18-6-4-3-5-7-18/h3-9,21H,10-15H2,1-2H3.
What are the key properties of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 350.46 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 24901537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).