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

C17H22N2O2 — CID 823921

IUPAC2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
SMILESCC1(C)Cc2ccccc2C(=CC(=O)N2CCOCC2)N1
InChIInChI=1S/C17H22N2O2/c1-17(2)12-13-5-3-4-6-14(13)15(18-17)11-16(20)19-7-9-21-10-8-19/h3-6,11,18H,7-10,12H2,1-2H3
InChIKeyKFOTVFPQRPTWOJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds1

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

2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone (PubChem CID 823921) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
PubChem CID823921
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
SMILESCC1(C)Cc2ccccc2C(=CC(=O)N2CCOCC2)N1
InChIInChI=1S/C17H22N2O2/c1-17(2)12-13-5-3-4-6-14(13)15(18-17)11-16(20)19-7-9-21-10-8-19/h3-6,11,18H,7-10,12H2,1-2H3
InChIKeyKFOTVFPQRPTWOJ-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone
CID 9549487
2-(3-Ethyl-3-methyl(2,3,4-trihydroisoquinolylidene))-1-piperidylethan-1-one, c hloride
CID 6602694
(Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride
CID 9551772
N-[1-(Morpholine-4-carbonyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 655255
2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)-N-methylacetamide
CID 5338999
(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone;sulfuric acid
CID 6398920
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
CID 32718395
Pyrrolidine, 1-((3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetyl)-, monohydrochloride, (Z)-
CID 6449602
1-[2-(1-Azepanyl)-2-oxoethylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 5338983
1-[2-(4-Morpholinyl)-2-oxoethylidene]-1,2,3,4-tetrahydrospiro[isoquinoline-3,1'-cyclopentane]
CID 5409550
(2Z)-2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-1-piperidin-1-ylethanone
CID 5756421
2-(3-methylpiperidin-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17513887

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone (CID 823921) is 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone is CC1(C)Cc2ccccc2C(=CC(=O)N2CCOCC2)N1.
What is the InChIKey of 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
The InChIKey is KFOTVFPQRPTWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)12-13-5-3-4-6-14(13)15(18-17)11-16(20)19-7-9-21-10-8-19/h3-6,11,18H,7-10,12H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone?
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone has a molecular weight of 286.38 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone is sourced from PubChem (CID 823921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).