2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone

C28H27FN6O3 — CID 163290930

About 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone

2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone (PubChem CID 163290930) has the molecular formula C28H27FN6O3 and a molecular weight of 514.56 g/mol. Its IUPAC name is 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone
• PubChem CID: 163290930
• Molecular Formula: C28H27FN6O3
• Molecular Weight: 514.56 g/mol
• Exact Mass: 514.21
• IUPAC Name: 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone
• SMILES: Cc1c(-c2cc3nc(Nc4ccc(CC(=O)N5CCOCC5)cc4)ncc3cc2F)cnc2c1NCCO2
• InChI: InChI=1S/C28H27FN6O3/c1-17-22(16-31-27-26(17)30-6-9-38-27)21-14-24-19(13-23(21)29)15-32-28(34-24)33-20-4-2-18(3-5-20)12-25(36)35-7-10-37-11-8-35/h2-5,13-16,30H,6-12H2,1H3,(H,32,33,34)
• InChIKey: IWNHZWRKWNZPFQ-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone (CID 163290930) is 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone.

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

The canonical SMILES for 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone is Cc1c(-c2cc3nc(Nc4ccc(CC(=O)N5CCOCC5)cc4)ncc3cc2F)cnc2c1NCCO2.

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

The InChIKey is IWNHZWRKWNZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O3/c1-17-22(16-31-27-26(17)30-6-9-38-27)21-14-24-19(13-23(21)29)15-32-28(34-24)33-20-4-2-18(3-5-20)12-25(36)35-7-10-37-11-8-35/h2-5,13-16,30H,6-12H2,1H3,(H,32,33,34).

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

2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone has a molecular weight of 514.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 163290930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).