2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

C20H17N3O3 — CID 86980186

About 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 86980186) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
• PubChem CID: 86980186
• Molecular Formula: C20H17N3O3
• Molecular Weight: 347.37 g/mol
• Exact Mass: 347.13
• IUPAC Name: 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
• SMILES: O=C1CCc2cc(C(=O)NCc3ncc(-c4ccccc4)o3)ccc2N1
• InChI: InChI=1S/C20H17N3O3/c24-18-9-7-14-10-15(6-8-16(14)23-18)20(25)22-12-19-21-11-17(26-19)13-4-2-1-3-5-13/h1-6,8,10-11H,7,9,12H2,(H,22,25)(H,23,24)
• InChIKey: QSJIBSJFWDNKKF-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.37
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?

The IUPAC name of 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (CID 86980186) is 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

What is the SMILES notation for 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?

The canonical SMILES for 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCc3ncc(-c4ccccc4)o3)ccc2N1.

What is the InChIKey of 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?

The InChIKey is QSJIBSJFWDNKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18-9-7-14-10-15(6-8-16(14)23-18)20(25)22-12-19-21-11-17(26-19)13-4-2-1-3-5-13/h1-6,8,10-11H,7,9,12H2,(H,22,25)(H,23,24).

What are the key properties of 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?

2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 86980186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).