2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

C21H17N3O3 — CID 2166873

IUPAC2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17N3O3/c1-13-11-20(24-27-13)23-21(25)17-12-19(14-7-9-15(26-2)10-8-14)22-18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,23,24,25)
InChIKeyBZILBWSWGWZEKT-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 2166873) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID2166873
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17N3O3/c1-13-11-20(24-27-13)23-21(25)17-12-19(14-7-9-15(26-2)10-8-14)22-18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,23,24,25)
InChIKeyBZILBWSWGWZEKT-UHFFFAOYSA-N
XLogP4.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 2166873) is 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is BZILBWSWGWZEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-11-20(24-27-13)23-21(25)17-12-19(14-7-9-15(26-2)10-8-14)22-18-6-4-3-5-16(17)18/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2166873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).