6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

C16H14FN3O2 — CID 134810843

IUPAC6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc(F)cc3)nc2c1=O
InChIInChI=1S/C16H14FN3O2/c1-22-9-8-20-10-18-14-7-6-13(19-15(14)16(20)21)11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyXBMGHZVOZCTEAI-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.24
Rot. Bonds4

About 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810843) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810843
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc(F)cc3)nc2c1=O
InChIInChI=1S/C16H14FN3O2/c1-22-9-8-20-10-18-14-7-6-13(19-15(14)16(20)21)11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyXBMGHZVOZCTEAI-UHFFFAOYSA-N
XLogP2.24
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810843) is 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3ccc(F)cc3)nc2c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is XBMGHZVOZCTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-22-9-8-20-10-18-14-7-6-13(19-15(14)16(20)21)11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 299.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).