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

C22H20FN7O2 — CID 164514627

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

6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 164514627) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.

Molecular Properties

• Compound Name: 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
• PubChem CID: 164514627
• Molecular Formula: C22H20FN7O2
• Molecular Weight: 433.45 g/mol
• Exact Mass: 433.17
• IUPAC Name: 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
• SMILES: COc1ccncc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
• InChI: InChI=1S/C22H20FN7O2/c1-11-13(8-27-21-20(11)26-5-6-32-21)12-7-15-14(19(24)18(12)23)9-28-22(29-15)30-16-10-25-4-3-17(16)31-2/h3-4,7-10,26H,5-6,24H2,1-2H3,(H,28,29,30)
• InChIKey: RDTPXMOKBRRDRK-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 120.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.45
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
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 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?

The IUPAC name of 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 164514627) is 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.

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

The canonical SMILES for 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is COc1ccncc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1.

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

The InChIKey is RDTPXMOKBRRDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-11-13(8-27-21-20(11)26-5-6-32-21)12-7-15-14(19(24)18(12)23)9-28-22(29-15)30-16-10-25-4-3-17(16)31-2/h3-4,7-10,26H,5-6,24H2,1-2H3,(H,28,29,30).

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

6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine has a molecular weight of 433.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2-N-(4-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is sourced from PubChem (CID 164514627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).