2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone

C19H26N2O2 — CID 672430

IUPAC2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone
SMILESCCC1(CC)Cc2ccccc2C(CC(=O)N2CCOCC2)=N1
InChIInChI=1S/C19H26N2O2/c1-3-19(4-2)14-15-7-5-6-8-16(15)17(20-19)13-18(22)21-9-11-23-12-10-21/h5-8H,3-4,9-14H2,1-2H3
InChIKeyOTJWJIHLJPXXRQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.84
Rot. Bonds4

About 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone

2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 672430) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone
PubChem CID672430
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone
SMILESCCC1(CC)Cc2ccccc2C(CC(=O)N2CCOCC2)=N1
InChIInChI=1S/C19H26N2O2/c1-3-19(4-2)14-15-7-5-6-8-16(15)17(20-19)13-18(22)21-9-11-23-12-10-21/h5-8H,3-4,9-14H2,1-2H3
InChIKeyOTJWJIHLJPXXRQ-UHFFFAOYSA-N
XLogP2.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone (CID 672430) is 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone is CCC1(CC)Cc2ccccc2C(CC(=O)N2CCOCC2)=N1.
What is the InChIKey of 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is OTJWJIHLJPXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-19(4-2)14-15-7-5-6-8-16(15)17(20-19)13-18(22)21-9-11-23-12-10-21/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone?
2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 314.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 672430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).