1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

C18H26N4O — CID 658818

IUPAC1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESCCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2
InChIInChI=1S/C18H26N4O/c1-2-17-15-6-4-3-5-14(15)16(13-19)18(21-17)20-7-8-22-9-11-23-12-10-22/h2-12H2,1H3,(H,20,21)
InChIKeyFEKNNLZLKBTJQJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.14
Rot. Bonds5

About 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (PubChem CID 658818) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
PubChem CID658818
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESCCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2
InChIInChI=1S/C18H26N4O/c1-2-17-15-6-4-3-5-14(15)16(13-19)18(21-17)20-7-8-22-9-11-23-12-10-22/h2-12H2,1H3,(H,20,21)
InChIKeyFEKNNLZLKBTJQJ-UHFFFAOYSA-N
XLogP2.14
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CID 658818) is 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
What is the SMILES notation for 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The canonical SMILES for 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is CCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2.
What is the InChIKey of 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The InChIKey is FEKNNLZLKBTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-17-15-6-4-3-5-14(15)16(13-19)18(21-17)20-7-8-22-9-11-23-12-10-22/h2-12H2,1H3,(H,20,21).
What are the key properties of 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is sourced from PubChem (CID 658818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).