(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide

C22H22N2O2 — CID 26979485

IUPAC(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide
SMILESCc1ccccc1OCCN(C)C(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-17-7-3-6-10-21(17)26-16-15-24(2)22(25)14-13-19-12-11-18-8-4-5-9-20(18)23-19/h3-14H,15-16H2,1-2H3/b14-13+
InChIKeyQCOMOLPGMDFKMJ-BUHFOSPRSA-N
MW346.43 g/mol
LogP4.09
Rot. Bonds6

About (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide

(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide (PubChem CID 26979485) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide
PubChem CID26979485
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide
SMILESCc1ccccc1OCCN(C)C(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-17-7-3-6-10-21(17)26-16-15-24(2)22(25)14-13-19-12-11-18-8-4-5-9-20(18)23-19/h3-14H,15-16H2,1-2H3/b14-13+
InChIKeyQCOMOLPGMDFKMJ-BUHFOSPRSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 41464447
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-[2-(2-methoxyphenoxy)ethyl]-N-methylquinoline-2-carboxamide
CID 60537120
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
CID 11139204

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide (CID 26979485) is (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide is Cc1ccccc1OCCN(C)C(=O)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide?
The InChIKey is QCOMOLPGMDFKMJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17-7-3-6-10-21(17)26-16-15-24(2)22(25)14-13-19-12-11-18-8-4-5-9-20(18)23-19/h3-14H,15-16H2,1-2H3/b14-13+.
What are the key properties of (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide?
(E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 26979485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).