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

C21H17N3O3 — CID 1223866

IUPAC2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1
InChIInChI=1S/C21H17N3O3/c1-2-26-15-7-5-6-14(12-15)19-13-17(16-8-3-4-9-18(16)22-19)21(25)23-20-10-11-27-24-20/h3-13H,2H2,1H3,(H,23,24,25)
InChIKeyORPBEHOFRIJTDH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.54
Rot. Bonds5

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

2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 1223866) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID1223866
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1
InChIInChI=1S/C21H17N3O3/c1-2-26-15-7-5-6-14(12-15)19-13-17(16-8-3-4-9-18(16)22-19)21(25)23-20-10-11-27-24-20/h3-13H,2H2,1H3,(H,23,24,25)
InChIKeyORPBEHOFRIJTDH-UHFFFAOYSA-N
XLogP4.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 1223866) is 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide is CCOc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is ORPBEHOFRIJTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-26-15-7-5-6-14(12-15)19-13-17(16-8-3-4-9-18(16)22-19)21(25)23-20-10-11-27-24-20/h3-13H,2H2,1H3,(H,23,24,25).
What are the key properties of 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1223866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).