N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide

C22H27N3O2 — CID 13452182

IUPACN-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide
SMILESCN1Cc2c(NC(=O)CN3CCOCC3)cccc2C(c2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-24-14-19(17-6-3-2-4-7-17)18-8-5-9-21(20(18)15-24)23-22(26)16-25-10-12-27-13-11-25/h2-9,19H,10-16H2,1H3,(H,23,26)
InChIKeyKVHAHYYHXQXIFY-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.53
Rot. Bonds4

About N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide

N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide (PubChem CID 13452182) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide
PubChem CID13452182
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide
SMILESCN1Cc2c(NC(=O)CN3CCOCC3)cccc2C(c2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-24-14-19(17-6-3-2-4-7-17)18-8-5-9-21(20(18)15-24)23-22(26)16-25-10-12-27-13-11-25/h2-9,19H,10-16H2,1H3,(H,23,26)
InChIKeyKVHAHYYHXQXIFY-UHFFFAOYSA-N
XLogP2.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide (CID 13452182) is N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide is CN1Cc2c(NC(=O)CN3CCOCC3)cccc2C(c2ccccc2)C1.
What is the InChIKey of N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide?
The InChIKey is KVHAHYYHXQXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-14-19(17-6-3-2-4-7-17)18-8-5-9-21(20(18)15-24)23-22(26)16-25-10-12-27-13-11-25/h2-9,19H,10-16H2,1H3,(H,23,26).
What are the key properties of N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide?
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 13452182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).