6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate

C24H29NO4 — CID 174899316

IUPAC6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccccc1.CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19NO.C10H10O3/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13;1-2-10(11)13-8-12-9-6-4-3-5-7-9/h6-9,15H,5H2,1-4H3;2-7H,1,8H2
InChIKeyDUPNYFYXRSPYNS-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.44
Rot. Bonds6

About 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate

6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate (PubChem CID 174899316) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate.

Molecular Properties

Compound Name6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate
PubChem CID174899316
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccccc1.CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19NO.C10H10O3/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13;1-2-10(11)13-8-12-9-6-4-3-5-7-9/h6-9,15H,5H2,1-4H3;2-7H,1,8H2
InChIKeyDUPNYFYXRSPYNS-UHFFFAOYSA-N
XLogP5.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2,2,4-trimethyl-1H-quinoline;oxoiron
CID 67924358
6-ethoxy-2,2,4-trimethyl-1H-quinoline;tridecan-1-ol
CID 174453090
2,2,4-trimethyl-6-[3-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]-2,2-bis[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethyl]propoxy]-1H-quinoline
CID 70527981
6-ethoxy-2,2,4-trimethyl-1H-quinoline;6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
CID 122516802
[4-(4-ethoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118151218
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 2869917
[3-[4-(4-methylphenyl)-N-[3-(prop-2-enoyloxymethoxy)phenyl]anilino]phenoxy]methyl prop-2-enoate
CID 156673241
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
methane;4-(prop-2-enoyloxymethoxy)benzoic acid
CID 158280789
[4-[(3,4-dimethylphenyl)diazenyl]phenoxy]methyl prop-2-enoate
CID 166995939
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
CID 20746570
6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70279829

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate?
The IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate (CID 174899316) is 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate.
What is the SMILES notation for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate?
The canonical SMILES for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate is C=CC(=O)OCOc1ccccc1.CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate?
The InChIKey is DUPNYFYXRSPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C10H10O3/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13;1-2-10(11)13-8-12-9-6-4-3-5-7-9/h6-9,15H,5H2,1-4H3;2-7H,1,8H2.
What are the key properties of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate?
6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate has a molecular weight of 395.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate is sourced from PubChem (CID 174899316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).