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

C17H14F3N3O2 — CID 134810876

IUPAC3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3cccc(C(F)(F)F)c3)nc2c1=O
InChIInChI=1S/C17H14F3N3O2/c1-25-8-7-23-10-21-14-6-5-13(22-15(14)16(23)24)11-3-2-4-12(9-11)17(18,19)20/h2-6,9-10H,7-8H2,1H3
InChIKeyDYHLXOQNVBMJII-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.12
Rot. Bonds4

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

3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810876) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810876
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3cccc(C(F)(F)F)c3)nc2c1=O
InChIInChI=1S/C17H14F3N3O2/c1-25-8-7-23-10-21-14-6-5-13(22-15(14)16(23)24)11-3-2-4-12(9-11)17(18,19)20/h2-6,9-10H,7-8H2,1H3
InChIKeyDYHLXOQNVBMJII-UHFFFAOYSA-N
XLogP3.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810852
3-(2-Methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
CID 134805614
3-(2,4-Difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134805921
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
CID 134808652
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
3-(2,4-Difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810714
6-(4-Fluorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810828
6-(4-Fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810843
1-Benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810897
1-(Cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810941

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (CID 134810876) is 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3cccc(C(F)(F)F)c3)nc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is DYHLXOQNVBMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-25-8-7-23-10-21-14-6-5-13(22-15(14)16(23)24)11-3-2-4-12(9-11)17(18,19)20/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 349.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).