2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide

C20H15N3O2 — CID 17285283

IUPAC2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-13-6-8-14(9-7-13)18-12-16(15-4-2-3-5-17(15)21-18)20(24)22-19-10-11-25-23-19/h2-12H,1H3,(H,22,23,24)
InChIKeyQDKNQTOETPZDFU-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 17285283) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID17285283
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-13-6-8-14(9-7-13)18-12-16(15-4-2-3-5-17(15)21-18)20(24)22-19-10-11-25-23-19/h2-12H,1H3,(H,22,23,24)
InChIKeyQDKNQTOETPZDFU-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 899144
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1358287
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4095752
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 17285283) is 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is QDKNQTOETPZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-6-8-14(9-7-13)18-12-16(15-4-2-3-5-17(15)21-18)20(24)22-19-10-11-25-23-19/h2-12H,1H3,(H,22,23,24).
What are the key properties of 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 17285283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).