(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide

C22H22N2O2 — CID 110616795

IUPAC(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C22H22N2O2/c1-15-8-9-18-14-19(22(26)24-20(18)12-15)10-11-23-21(25)16(2)13-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)(H,24,26)/b16-13+
InChIKeyZDXCYSDUZZLBIC-DTQAZKPQSA-N
MW346.43 g/mol
LogP3.60
Rot. Bonds5

About (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide

(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 110616795) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID110616795
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C22H22N2O2/c1-15-8-9-18-14-19(22(26)24-20(18)12-15)10-11-23-21(25)16(2)13-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)(H,24,26)/b16-13+
InChIKeyZDXCYSDUZZLBIC-DTQAZKPQSA-N
XLogP3.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-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

(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 17271955
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 3469942
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662758
1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136867
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
CID 5084533
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
2-(dimethylamino)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110616799
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide (CID 110616795) is (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is ZDXCYSDUZZLBIC-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-8-9-18-14-19(22(26)24-20(18)12-15)10-11-23-21(25)16(2)13-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)(H,24,26)/b16-13+.
What are the key properties of (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 110616795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).