4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide

C26H28N6O4 — CID 142410697

About 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide

4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide (PubChem CID 142410697) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide
• PubChem CID: 142410697
• Molecular Formula: C26H28N6O4
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.22
• IUPAC Name: 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide
• SMILES: COc1cc2nccc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3C)c2cc1C(N)=O
• InChI: InChI=1S/C26H28N6O4/c1-14-10-15(29-25(34)31-23-13-22(36-32-23)26(2,3)4)6-7-18(14)30-19-8-9-28-20-12-21(35-5)17(24(27)33)11-16(19)20/h6-13H,1-5H3,(H2,27,33)(H,28,30)(H2,29,31,32,34)
• InChIKey: ZOYUBVJXHWPIBI-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 144.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide?

The IUPAC name of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide (CID 142410697) is 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide.

What is the SMILES notation for 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide?

The canonical SMILES for 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3C)c2cc1C(N)=O.

What is the InChIKey of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide?

The InChIKey is ZOYUBVJXHWPIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-14-10-15(29-25(34)31-23-13-22(36-32-23)26(2,3)4)6-7-18(14)30-19-8-9-28-20-12-21(35-5)17(24(27)33)11-16(19)20/h6-13H,1-5H3,(H2,27,33)(H,28,30)(H2,29,31,32,34).

What are the key properties of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide?

4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 5.32, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 142410697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).