(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide

C24H26N2O3 — CID 98669636

IUPAC(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide
SMILESCCOc1ccc(CCNC(=O)/C=C/c2cccc3cccnc23)cc1OCC
InChIInChI=1S/C24H26N2O3/c1-3-28-21-12-10-18(17-22(21)29-4-2)14-16-25-23(27)13-11-20-8-5-7-19-9-6-15-26-24(19)20/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,25,27)/b13-11+
InChIKeyGDEMCVYRPBAFKC-ACCUITESSA-N
MW390.48 g/mol
LogP4.40
Rot. Bonds9

About (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 98669636) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID98669636
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide
SMILESCCOc1ccc(CCNC(=O)/C=C/c2cccc3cccnc23)cc1OCC
InChIInChI=1S/C24H26N2O3/c1-3-28-21-12-10-18(17-22(21)29-4-2)14-16-25-23(27)13-11-20-8-5-7-19-9-6-15-26-24(19)20/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,25,27)/b13-11+
InChIKeyGDEMCVYRPBAFKC-ACCUITESSA-N
XLogP4.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 76858235
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617886
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
methyl (2S,3S)-3-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]pentanoate
CID 47084216
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide (CID 98669636) is (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide is CCOc1ccc(CCNC(=O)/C=C/c2cccc3cccnc23)cc1OCC.
What is the InChIKey of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is GDEMCVYRPBAFKC-ACCUITESSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-28-21-12-10-18(17-22(21)29-4-2)14-16-25-23(27)13-11-20-8-5-7-19-9-6-15-26-24(19)20/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,25,27)/b13-11+.
What are the key properties of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 390.48 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 98669636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).