(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C21H24N2O2 — CID 154706011

IUPAC(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1CN(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)CCO1
InChIInChI=1S/C21H24N2O2/c1-16-13-22(11-12-25-16)21(24)23-14-18-9-5-6-10-19(18)20(15-23)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3
InChIKeyAHMOMOUCLAPMRM-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds1

About (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 154706011) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID154706011
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1CN(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)CCO1
InChIInChI=1S/C21H24N2O2/c1-16-13-22(11-12-25-16)21(24)23-14-18-9-5-6-10-19(18)20(15-23)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3
InChIKeyAHMOMOUCLAPMRM-UHFFFAOYSA-N
XLogP3.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 154706011) is (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1CN(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)CCO1.
What is the InChIKey of (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is AHMOMOUCLAPMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-13-22(11-12-25-16)21(24)23-14-18-9-5-6-10-19(18)20(15-23)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3.
What are the key properties of (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 154706011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).