4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile

C23H18F2N6O — CID 129248853

About 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 129248853) has the molecular formula C23H18F2N6O and a molecular weight of 432.43 g/mol. Its IUPAC name is 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
• PubChem CID: 129248853
• Molecular Formula: C23H18F2N6O
• Molecular Weight: 432.43 g/mol
• Exact Mass: 432.15
• IUPAC Name: 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
• SMILES: Cc1c(CCNc2ncnc(N)c2C#N)c(-c2ccc(F)cc2)c2ccc(F)cn2c1=O
• InChI: InChI=1S/C23H18F2N6O/c1-13-17(8-9-28-22-18(10-26)21(27)29-12-30-22)20(14-2-4-15(24)5-3-14)19-7-6-16(25)11-31(19)23(13)32/h2-7,11-12H,8-9H2,1H3,(H3,27,28,29,30)
• InChIKey: VUHUQKWFJYMYER-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 109.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.43
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?

The IUPAC name of 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 129248853) is 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile.

What is the SMILES notation for 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?

The canonical SMILES for 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile is Cc1c(CCNc2ncnc(N)c2C#N)c(-c2ccc(F)cc2)c2ccc(F)cn2c1=O.

What is the InChIKey of 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?

The InChIKey is VUHUQKWFJYMYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O/c1-13-17(8-9-28-22-18(10-26)21(27)29-12-30-22)20(14-2-4-15(24)5-3-14)19-7-6-16(25)11-31(19)23(13)32/h2-7,11-12H,8-9H2,1H3,(H3,27,28,29,30).

What are the key properties of 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?

4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 432.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 129248853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).