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

C19H19N3O2 — CID 54091273

IUPACN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide
SMILESC=CC(=O)N(c1ccncc1)c1ccc2c(c1)NC(=O)CC2(C)C
InChIInChI=1S/C19H19N3O2/c1-4-18(24)22(13-7-9-20-10-8-13)14-5-6-15-16(11-14)21-17(23)12-19(15,2)3/h4-11H,1,12H2,2-3H3,(H,21,23)
InChIKeyMUALOZYYHBRBHW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.55
Rot. Bonds3

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

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 54091273) 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)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide
PubChem CID54091273
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide
SMILESC=CC(=O)N(c1ccncc1)c1ccc2c(c1)NC(=O)CC2(C)C
InChIInChI=1S/C19H19N3O2/c1-4-18(24)22(13-7-9-20-10-8-13)14-5-6-15-16(11-14)21-17(23)12-19(15,2)3/h4-11H,1,12H2,2-3H3,(H,21,23)
InChIKeyMUALOZYYHBRBHW-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide (CID 54091273) is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide is C=CC(=O)N(c1ccncc1)c1ccc2c(c1)NC(=O)CC2(C)C.
What is the InChIKey of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is MUALOZYYHBRBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-18(24)22(13-7-9-20-10-8-13)14-5-6-15-16(11-14)21-17(23)12-19(15,2)3/h4-11H,1,12H2,2-3H3,(H,21,23).
What are the key properties of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide?
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 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)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 54091273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).