(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide

C24H21N3O3 — CID 98549142

IUPAC(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide
SMILESCN(C(=O)/C=C\c1cccc2cccnc12)[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H21N3O3/c1-26(20-15-22(29)27(24(20)30)16-17-7-3-2-4-8-17)21(28)13-12-19-10-5-9-18-11-6-14-25-23(18)19/h2-14,20H,15-16H2,1H3/b13-12-/t20-/m0/s1
InChIKeyWKDVZIBUTQBNKA-CBUFDYBVSA-N
MW399.45 g/mol
LogP3.03
Rot. Bonds5

About (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide

(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide (PubChem CID 98549142) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide
PubChem CID98549142
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide
SMILESCN(C(=O)/C=C\c1cccc2cccnc12)[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H21N3O3/c1-26(20-15-22(29)27(24(20)30)16-17-7-3-2-4-8-17)21(28)13-12-19-10-5-9-18-11-6-14-25-23(18)19/h2-14,20H,15-16H2,1H3/b13-12-/t20-/m0/s1
InChIKeyWKDVZIBUTQBNKA-CBUFDYBVSA-N
XLogP3.03
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
CID 18152800
(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
CID 134061052
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
[2-(dibenzylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607788
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
CID 55512958
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 55510651
(E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-quinolin-8-ylprop-2-enamide
CID 51333791
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-8-ylprop-2-enamide
CID 42937673
2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
CID 51333730
4-benzyl-3-ethyl-1-(quinoline-8-carbonyl)-1,4-diazepan-5-one
CID 56881216
(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide
CID 18152783
1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 42897610

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide (CID 98549142) is (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide is CN(C(=O)/C=C\c1cccc2cccnc12)[C@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
The InChIKey is WKDVZIBUTQBNKA-CBUFDYBVSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-26(20-15-22(29)27(24(20)30)16-17-7-3-2-4-8-17)21(28)13-12-19-10-5-9-18-11-6-14-25-23(18)19/h2-14,20H,15-16H2,1H3/b13-12-/t20-/m0/s1.
What are the key properties of (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide has a molecular weight of 399.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 98549142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).