2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone

C19H26N2O4 — CID 657633

IUPAC2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
SMILESCOc1cc2c(cc1OC)C(=CC(=O)N1CCOCC1)NC(C)(C)C2
InChIInChI=1S/C19H26N2O4/c1-19(2)12-13-9-16(23-3)17(24-4)10-14(13)15(20-19)11-18(22)21-5-7-25-8-6-21/h9-11,20H,5-8,12H2,1-4H3
InChIKeyAIAADAAAVURKDN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.83
Rot. Bonds3

About 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone

2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone (PubChem CID 657633) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
PubChem CID657633
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
SMILESCOc1cc2c(cc1OC)C(=CC(=O)N1CCOCC1)NC(C)(C)C2
InChIInChI=1S/C19H26N2O4/c1-19(2)12-13-9-16(23-3)17(24-4)10-14(13)15(20-19)11-18(22)21-5-7-25-8-6-21/h9-11,20H,5-8,12H2,1-4H3
InChIKeyAIAADAAAVURKDN-UHFFFAOYSA-N
XLogP1.83
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone (CID 657633) is 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone is COc1cc2c(cc1OC)C(=CC(=O)N1CCOCC1)NC(C)(C)C2.
What is the InChIKey of 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
The InChIKey is AIAADAAAVURKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2)12-13-9-16(23-3)17(24-4)10-14(13)15(20-19)11-18(22)21-5-7-25-8-6-21/h9-11,20H,5-8,12H2,1-4H3.
What are the key properties of 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone has a molecular weight of 346.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone is sourced from PubChem (CID 657633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).