4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine

C25H28N2O — CID 68994440

IUPAC4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
SMILESCc1c(N2CCOCC2)ccc2c1CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C25H28N2O/c1-18-23-16-26(2)17-24(21-8-7-19-5-3-4-6-20(19)15-21)22(23)9-10-25(18)27-11-13-28-14-12-27/h3-10,15,24H,11-14,16-17H2,1-2H3
InChIKeyXBLKWTZVUAGRIC-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.56
Rot. Bonds2

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

4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine (PubChem CID 68994440) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine.

Molecular Properties

Compound Name4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
PubChem CID68994440
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
SMILESCc1c(N2CCOCC2)ccc2c1CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C25H28N2O/c1-18-23-16-26(2)17-24(21-8-7-19-5-3-4-6-20(19)15-21)22(23)9-10-25(18)27-11-13-28-14-12-27/h3-10,15,24H,11-14,16-17H2,1-2H3
InChIKeyXBLKWTZVUAGRIC-UHFFFAOYSA-N
XLogP4.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
The IUPAC name of 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine (CID 68994440) is 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine.
What is the SMILES notation for 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
The canonical SMILES for 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine is Cc1c(N2CCOCC2)ccc2c1CN(C)CC2c1ccc2ccccc2c1.
What is the InChIKey of 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
The InChIKey is XBLKWTZVUAGRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-23-16-26(2)17-24(21-8-7-19-5-3-4-6-20(19)15-21)22(23)9-10-25(18)27-11-13-28-14-12-27/h3-10,15,24H,11-14,16-17H2,1-2H3.
What are the key properties of 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine has a molecular weight of 372.51 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine is sourced from PubChem (CID 68994440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).