2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C20H18FN5O2 — CID 69457038

About 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69457038) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 69457038
• Molecular Formula: C20H18FN5O2
• Molecular Weight: 379.40 g/mol
• Exact Mass: 379.14
• IUPAC Name: 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: COc1cncc(-c2cccc(F)c2C2CC(=O)c3c(C)nc(N)nc3C2)n1
• InChI: InChI=1S/C20H18FN5O2/c1-10-18-14(26-20(22)24-10)6-11(7-16(18)27)19-12(4-3-5-13(19)21)15-8-23-9-17(25-15)28-2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,22,24,26)
• InChIKey: KNHXCOPTZSOLCW-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 103.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.40
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69457038) is 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1cncc(-c2cccc(F)c2C2CC(=O)c3c(C)nc(N)nc3C2)n1.

What is the InChIKey of 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is KNHXCOPTZSOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-10-18-14(26-20(22)24-10)6-11(7-16(18)27)19-12(4-3-5-13(19)21)15-8-23-9-17(25-15)28-2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,22,24,26).

What are the key properties of 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 379.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69457038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).