5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine

C19H16ClFN4O — CID 167135386

About 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine

5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine (PubChem CID 167135386) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine
• PubChem CID: 167135386
• Molecular Formula: C19H16ClFN4O
• Molecular Weight: 370.82 g/mol
• Exact Mass: 370.10
• IUPAC Name: 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine
• SMILES: CNc1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
• InChI: InChI=1S/C19H16ClFN4O/c1-22-13-6-11(9-23-10-13)14-8-17(15-7-12(20)2-3-16(15)21)25-19-18(14)26-5-4-24-19/h2-3,6-10,22H,4-5H2,1H3,(H,24,25)
• InChIKey: UPZLGBKXMVSYBU-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 59.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.82
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine?

The IUPAC name of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine (CID 167135386) is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine.

What is the SMILES notation for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine?

The canonical SMILES for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine is CNc1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1.

What is the InChIKey of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine?

The InChIKey is UPZLGBKXMVSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-22-13-6-11(9-23-10-13)14-8-17(15-7-12(20)2-3-16(15)21)25-19-18(14)26-5-4-24-19/h2-3,6-10,22H,4-5H2,1H3,(H,24,25).

What are the key properties of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine?

5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine has a molecular weight of 370.82 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridin-3-amine is sourced from PubChem (CID 167135386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).