4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide

C25H24FN7O3 — CID 163290748

About 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide

4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide (PubChem CID 163290748) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide
• PubChem CID: 163290748
• Molecular Formula: C25H24FN7O3
• Molecular Weight: 489.51 g/mol
• Exact Mass: 489.19
• IUPAC Name: 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(Nc2ncc3c(N)c(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)c(OC)c1
• InChI: InChI=1S/C25H24FN7O3/c1-12-15(10-30-24-22(12)29-6-7-36-24)14-9-18-16(21(27)20(14)26)11-31-25(33-18)32-17-5-4-13(23(34)28-2)8-19(17)35-3/h4-5,8-11,29H,6-7,27H2,1-3H3,(H,28,34)(H,31,32,33)
• InChIKey: AIWUWWLCRGWCGZ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 136.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.51
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide?

The IUPAC name of 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide (CID 163290748) is 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide.

What is the SMILES notation for 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide?

The canonical SMILES for 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide is CNC(=O)c1ccc(Nc2ncc3c(N)c(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)c(OC)c1.

What is the InChIKey of 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide?

The InChIKey is AIWUWWLCRGWCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-12-15(10-30-24-22(12)29-6-7-36-24)14-9-18-16(21(27)20(14)26)11-31-25(33-18)32-17-5-4-13(23(34)28-2)8-19(17)35-3/h4-5,8-11,29H,6-7,27H2,1-3H3,(H,28,34)(H,31,32,33).

What are the key properties of 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide?

4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide has a molecular weight of 489.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 163290748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).