2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H14FN3O3 — CID 136666812

IUPAC2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccco1)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1
InChIInChI=1S/C18H14FN3O3/c19-12-5-3-11(4-6-12)16-20-14-10-22(8-7-13(14)17(23)21-16)18(24)15-2-1-9-25-15/h1-6,9H,7-8,10H2,(H,20,21,23)
InChIKeyXQCPWXHLGJQULK-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.37
Rot. Bonds2

About 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136666812) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136666812
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccco1)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1
InChIInChI=1S/C18H14FN3O3/c19-12-5-3-11(4-6-12)16-20-14-10-22(8-7-13(14)17(23)21-16)18(24)15-2-1-9-25-15/h1-6,9H,7-8,10H2,(H,20,21,23)
InChIKeyXQCPWXHLGJQULK-UHFFFAOYSA-N
XLogP2.37
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136666812) is 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1ccco1)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XQCPWXHLGJQULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-12-5-3-11(4-6-12)16-20-14-10-22(8-7-13(14)17(23)21-16)18(24)15-2-1-9-25-15/h1-6,9H,7-8,10H2,(H,20,21,23).
What are the key properties of 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 339.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-(furan-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).