2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one

C16H12FN3O2 — CID 137140858

IUPAC2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESC=Cc1c(F)cccc1COc1nc2cnccc2c(=O)[nH]1
InChIInChI=1S/C16H12FN3O2/c1-2-11-10(4-3-5-13(11)17)9-22-16-19-14-8-18-7-6-12(14)15(21)20-16/h2-8H,1,9H2,(H,19,20,21)
InChIKeyCJCNHATVLBCQGH-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.68
Rot. Bonds4

About 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137140858) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137140858
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESC=Cc1c(F)cccc1COc1nc2cnccc2c(=O)[nH]1
InChIInChI=1S/C16H12FN3O2/c1-2-11-10(4-3-5-13(11)17)9-22-16-19-14-8-18-7-6-12(14)15(21)20-16/h2-8H,1,9H2,(H,19,20,21)
InChIKeyCJCNHATVLBCQGH-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137140858) is 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is C=Cc1c(F)cccc1COc1nc2cnccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CJCNHATVLBCQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-2-11-10(4-3-5-13(11)17)9-22-16-19-14-8-18-7-6-12(14)15(21)20-16/h2-8H,1,9H2,(H,19,20,21).
What are the key properties of 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 297.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenyl-3-fluorophenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137140858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).