N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide

C19H19N3O2 — CID 67823812

IUPACN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)C=Cc3ccncc3)ccc21
InChIInChI=1S/C19H19N3O2/c1-19(2)12-18(24)22-16-11-14(4-5-15(16)19)21-17(23)6-3-13-7-9-20-10-8-13/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLPTPVWOGVSBLEH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds3

About N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 67823812) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide
PubChem CID67823812
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)C=Cc3ccncc3)ccc21
InChIInChI=1S/C19H19N3O2/c1-19(2)12-18(24)22-16-11-14(4-5-15(16)19)21-17(23)6-3-13-7-9-20-10-8-13/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLPTPVWOGVSBLEH-UHFFFAOYSA-N
XLogP3.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-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-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
CID 18952407
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-pyridin-3-ylprop-2-enamide
CID 18952464
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952439
(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 70394094
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide
CID 54091273
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
CID 18952446
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498997
N-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)pyridine-4-carboxamide
CID 23171033
5-[[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541007
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide (CID 67823812) is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide is CC1(C)CC(=O)Nc2cc(NC(=O)C=Cc3ccncc3)ccc21.
What is the InChIKey of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is LPTPVWOGVSBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2)12-18(24)22-16-11-14(4-5-15(16)19)21-17(23)6-3-13-7-9-20-10-8-13/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide?
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 67823812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).