N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C22H20N4O2 — CID 8011318

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)on1
InChIInChI=1S/C22H20N4O2/c1-22(2,3)19-13-20(28-26-19)25-21(27)16-12-18(14-8-10-23-11-9-14)24-17-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,25,27)
InChIKeyIISZZYXOZGUYLB-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.83
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 8011318) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID8011318
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)on1
InChIInChI=1S/C22H20N4O2/c1-22(2,3)19-13-20(28-26-19)25-21(27)16-12-18(14-8-10-23-11-9-14)24-17-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,25,27)
InChIKeyIISZZYXOZGUYLB-UHFFFAOYSA-N
XLogP4.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide 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-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 17285283
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 41173034
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55978013
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 8011318) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is IISZZYXOZGUYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-22(2,3)19-13-20(28-26-19)25-21(27)16-12-18(14-8-10-23-11-9-14)24-17-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,25,27).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 8011318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).