3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide

C23H24N2O3 — CID 1124745

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide
SMILESCCc1nc2ccccc2c(NC(=O)C=Cc2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C23H24N2O3/c1-5-18-15(2)23(17-8-6-7-9-19(17)24-18)25-22(26)13-11-16-10-12-20(27-3)21(14-16)28-4/h6-14H,5H2,1-4H3,(H,24,25,26)
InChIKeyDQNHVMILWWKIQZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.77
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide

3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide (PubChem CID 1124745) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide
PubChem CID1124745
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide
SMILESCCc1nc2ccccc2c(NC(=O)C=Cc2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C23H24N2O3/c1-5-18-15(2)23(17-8-6-7-9-19(17)24-18)25-22(26)13-11-16-10-12-20(27-3)21(14-16)28-4/h6-14H,5H2,1-4H3,(H,24,25,26)
InChIKeyDQNHVMILWWKIQZ-UHFFFAOYSA-N
XLogP4.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.77
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)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
CID 2331797
(E)-3-(3,4-dimethoxyphenyl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)prop-2-enamide
CID 122355888
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
N-(2-methylquinolin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4148032
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
(E)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 16575221
(E)-3-(3,4-dimethoxyphenyl)-N-[(2-ethyl-6-methylphenyl)carbamothioyl]prop-2-enamide
CID 6234252
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
CID 39834698
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086671

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide (CID 1124745) is 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide is CCc1nc2ccccc2c(NC(=O)C=Cc2ccc(OC)c(OC)c2)c1C.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide?
The InChIKey is DQNHVMILWWKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-5-18-15(2)23(17-8-6-7-9-19(17)24-18)25-22(26)13-11-16-10-12-20(27-3)21(14-16)28-4/h6-14H,5H2,1-4H3,(H,24,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide is sourced from PubChem (CID 1124745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).