(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide

C22H22N2O4 — CID 39834698

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2cccnc12
InChIInChI=1S/C22H22N2O4/c1-4-28-19-11-9-17(16-6-5-13-23-22(16)19)24-21(25)12-8-15-7-10-18(26-2)20(14-15)27-3/h5-14H,4H2,1-3H3,(H,24,25)/b12-8+
InChIKeyZRZVGGLSONJELL-XYOKQWHBSA-N
MW378.43 g/mol
LogP4.30
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide (PubChem CID 39834698) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
PubChem CID39834698
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2cccnc12
InChIInChI=1S/C22H22N2O4/c1-4-28-19-11-9-17(16-6-5-13-23-22(16)19)24-21(25)12-8-15-7-10-18(26-2)20(14-15)27-3/h5-14H,4H2,1-3H3,(H,24,25)/b12-8+
InChIKeyZRZVGGLSONJELL-XYOKQWHBSA-N
XLogP4.30
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.30
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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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide
CID 39834689
(E)-3-(1,3-benzodioxol-5-yl)-N-(8-methoxyquinolin-5-yl)prop-2-enamide
CID 60575422
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8780190
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
(E)-N-(4-bromo-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9410498
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
methyl 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 35249748
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide (CID 39834698) is (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2cccnc12.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide?
The InChIKey is ZRZVGGLSONJELL-XYOKQWHBSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-28-19-11-9-17(16-6-5-13-23-22(16)19)24-21(25)12-8-15-7-10-18(26-2)20(14-15)27-3/h5-14H,4H2,1-3H3,(H,24,25)/b12-8+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide has a molecular weight of 378.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide is sourced from PubChem (CID 39834698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).