N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide

C19H19N3O2 — CID 137259847

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide
SMILESCC(C)(C)C1=CC(=O)NC2=C/C(=N/C(=O)c3ccccn3)C=CC21
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-11-17(23)22-16-10-12(7-8-13(14)16)21-18(24)15-6-4-5-9-20-15/h4-11,13H,1-3H3,(H,22,23)/b21-12+
InChIKeyWOZHZJAHBABPHC-CIAFOILYSA-N
MW321.38 g/mol
LogP2.84
Rot. Bonds1

About N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide (PubChem CID 137259847) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide
PubChem CID137259847
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide
SMILESCC(C)(C)C1=CC(=O)NC2=C/C(=N/C(=O)c3ccccn3)C=CC21
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-11-17(23)22-16-10-12(7-8-13(14)16)21-18(24)15-6-4-5-9-20-15/h4-11,13H,1-3H3,(H,22,23)/b21-12+
InChIKeyWOZHZJAHBABPHC-CIAFOILYSA-N
XLogP2.84
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259694
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide
CID 137259731
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide
CID 137260397
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
CID 167999843
2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259209
N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137260140
4-chloro-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259978
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
CID 137259322
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
3-chloro-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,2-dimethylpropanamide
CID 137259410
molecular iodine;1-pyridin-2-ylethanone
CID 169427217

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide (CID 137259847) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide is CC(C)(C)C1=CC(=O)NC2=C/C(=N/C(=O)c3ccccn3)C=CC21.
What is the InChIKey of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide?
The InChIKey is WOZHZJAHBABPHC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)14-11-17(23)22-16-10-12(7-8-13(14)16)21-18(24)15-6-4-5-9-20-15/h4-11,13H,1-3H3,(H,22,23)/b21-12+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyridine-2-carboxamide is sourced from PubChem (CID 137259847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).