5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C19H22N2O6 — CID 168540187

IUPAC5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOCC(=O)N1CCCc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc21
InChIInChI=1S/C19H22N2O6/c1-19(2)26-17(23)14(18(24)27-19)10-20-13-7-6-12-5-4-8-21(15(12)9-13)16(22)11-25-3/h6-7,9-10,20H,4-5,8,11H2,1-3H3
InChIKeyACLORGNGGFYCCQ-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.74
Rot. Bonds4

About 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 168540187) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID168540187
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOCC(=O)N1CCCc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc21
InChIInChI=1S/C19H22N2O6/c1-19(2)26-17(23)14(18(24)27-19)10-20-13-7-6-12-5-4-8-21(15(12)9-13)16(22)11-25-3/h6-7,9-10,20H,4-5,8,11H2,1-3H3
InChIKeyACLORGNGGFYCCQ-UHFFFAOYSA-N
XLogP1.74
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537032
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 168537556
2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835128
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 71806499
4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990274
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
(3S)-5-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354721
methyl 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxyphenoxy]acetate
CID 168538101

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 168540187) is 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is COCC(=O)N1CCCc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc21.
What is the InChIKey of 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is ACLORGNGGFYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-19(2)26-17(23)14(18(24)27-19)10-20-13-7-6-12-5-4-8-21(15(12)9-13)16(22)11-25-3/h6-7,9-10,20H,4-5,8,11H2,1-3H3.
What are the key properties of 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 374.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168540187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).