N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide

C23H21N5O6 — CID 151626650

About N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide (PubChem CID 151626650) has the molecular formula C23H21N5O6 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide.

Molecular Properties

• Compound Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide
• PubChem CID: 151626650
• Molecular Formula: C23H21N5O6
• Molecular Weight: 463.45 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)N(NC=O)c4cc(C)on4)cc3)c2cc1OC
• InChI: InChI=1S/C23H21N5O6/c1-14-10-22(27-34-14)28(25-13-29)23(30)26-15-4-6-16(7-5-15)33-19-8-9-24-18-12-21(32-3)20(31-2)11-17(18)19/h4-13H,1-3H3,(H,25,29)(H,26,30)
• InChIKey: QPQJGOSIDGSLAO-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 128.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.45
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide?

The IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide (CID 151626650) is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide.

What is the SMILES notation for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide?

The canonical SMILES for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide is COc1cc2nccc(Oc3ccc(NC(=O)N(NC=O)c4cc(C)on4)cc3)c2cc1OC.

What is the InChIKey of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide?

The InChIKey is QPQJGOSIDGSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O6/c1-14-10-22(27-34-14)28(25-13-29)23(30)26-15-4-6-16(7-5-15)33-19-8-9-24-18-12-21(32-3)20(31-2)11-17(18)19/h4-13H,1-3H3,(H,25,29)(H,26,30).

What are the key properties of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide?

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide has a molecular weight of 463.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl-(5-methyl-1,2-oxazol-3-yl)amino]formamide is sourced from PubChem (CID 151626650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).