(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide

C23H24N2O3 — CID 110616738

IUPAC(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O3/c1-14-9-18-12-19(23(27)25-21(18)10-15(14)2)13-24-22(26)11-16(3)17-5-7-20(28-4)8-6-17/h5-12H,13H2,1-4H3,(H,24,26)(H,25,27)/b16-11+
InChIKeyMCMMJIAMGMVTLE-LFIBNONCSA-N
MW376.46 g/mol
LogP3.87
Rot. Bonds5

About (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide

(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide (PubChem CID 110616738) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide
PubChem CID110616738
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O3/c1-14-9-18-12-19(23(27)25-21(18)10-15(14)2)13-24-22(26)11-16(3)17-5-7-20(28-4)8-6-17/h5-12H,13H2,1-4H3,(H,24,26)(H,25,27)/b16-11+
InChIKeyMCMMJIAMGMVTLE-LFIBNONCSA-N
XLogP3.87
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide with MolForge

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Related Compounds

(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbut-2-enamide
CID 110616737
(E)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)but-2-enamide
CID 111788938
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 84510401
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
(E)-3-(4-methoxyphenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]but-2-enamide
CID 110417037
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110324791
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide (CID 110616738) is (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide is COc1ccc(/C(C)=C/C(=O)NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1.
What is the InChIKey of (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide?
The InChIKey is MCMMJIAMGMVTLE-LFIBNONCSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14-9-18-12-19(23(27)25-21(18)10-15(14)2)13-24-22(26)11-16(3)17-5-7-20(28-4)8-6-17/h5-12H,13H2,1-4H3,(H,24,26)(H,25,27)/b16-11+.
What are the key properties of (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide?
(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 110616738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).