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

C21H20N2O3 — CID 2331797

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C21H20N2O3/c1-14-12-18(16-6-4-5-7-17(16)22-14)23-21(24)11-9-15-8-10-19(25-2)20(13-15)26-3/h4-13H,1-3H3,(H,22,23,24)/b11-9+
InChIKeyCEUIDBRKBRJORE-PKNBQFBNSA-N
MW348.40 g/mol
LogP4.21
Rot. Bonds5

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

(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide (PubChem CID 2331797) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
PubChem CID2331797
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C21H20N2O3/c1-14-12-18(16-6-4-5-7-17(16)22-14)23-21(24)11-9-15-8-10-19(25-2)20(13-15)26-3/h4-13H,1-3H3,(H,22,23,24)/b11-9+
InChIKeyCEUIDBRKBRJORE-PKNBQFBNSA-N
XLogP4.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.21
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

N-(2-methylquinolin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4148032
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide
CID 1124745
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 121149196
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
2-chloro-6-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid
CID 77378923
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide (CID 2331797) is (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc23)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide?
The InChIKey is CEUIDBRKBRJORE-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-12-18(16-6-4-5-7-17(16)22-14)23-21(24)11-9-15-8-10-19(25-2)20(13-15)26-3/h4-13H,1-3H3,(H,22,23,24)/b11-9+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide has a molecular weight of 348.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide is sourced from PubChem (CID 2331797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).