7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione

C19H18ClN3O3 — CID 143003892

About 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione

7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 143003892) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 143003892
• Molecular Formula: C19H18ClN3O3
• Molecular Weight: 371.82 g/mol
• Exact Mass: 371.10
• IUPAC Name: 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
• SMILES: C=C(CC)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
• InChI: InChI=1S/C19H18ClN3O3/c1-3-12(2)21-15-11-22-7-8-23(10-13-5-4-6-14(20)9-13)19(26)16(22)18(25)17(15)24/h4-9,11,21,25H,2-3,10H2,1H3
• InChIKey: OGVORSBRTIGQBJ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 75.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.82
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?

The IUPAC name of 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 143003892) is 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

What is the SMILES notation for 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?

The canonical SMILES for 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is C=C(CC)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O.

What is the InChIKey of 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?

The InChIKey is OGVORSBRTIGQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-3-12(2)21-15-11-22-7-8-23(10-13-5-4-6-14(20)9-13)19(26)16(22)18(25)17(15)24/h4-9,11,21,25H,2-3,10H2,1H3.

What are the key properties of 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?

7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 371.82 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 143003892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).