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

C17H16FN3O3 — CID 134810883

IUPAC6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc(F)cc3OC)nc2c1=O
InChIInChI=1S/C17H16FN3O3/c1-23-8-7-21-10-19-14-6-5-13(20-16(14)17(21)22)12-4-3-11(18)9-15(12)24-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBJPWOEZQWNVZEB-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.25
Rot. Bonds5

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

6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810883) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810883
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc(F)cc3OC)nc2c1=O
InChIInChI=1S/C17H16FN3O3/c1-23-8-7-21-10-19-14-6-5-13(20-16(14)17(21)22)12-4-3-11(18)9-15(12)24-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBJPWOEZQWNVZEB-UHFFFAOYSA-N
XLogP2.25
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810883) is 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3ccc(F)cc3OC)nc2c1=O.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is BJPWOEZQWNVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-23-8-7-21-10-19-14-6-5-13(20-16(14)17(21)22)12-4-3-11(18)9-15(12)24-2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 329.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).