3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H23N3O4 — CID 103483684

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C14H23N3O4/c1-19-6-7-21-9-8-20-5-4-17-11-16-13-10-15-3-2-12(13)14(17)18/h11,15H,2-10H2,1H3
InChIKeyALUPYFRXAVCMMO-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.43
Rot. Bonds9

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483684) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483684
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C14H23N3O4/c1-19-6-7-21-9-8-20-5-4-17-11-16-13-10-15-3-2-12(13)14(17)18/h11,15H,2-10H2,1H3
InChIKeyALUPYFRXAVCMMO-UHFFFAOYSA-N
XLogP-0.43
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483684) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCOCCOCCn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ALUPYFRXAVCMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-19-6-7-21-9-8-20-5-4-17-11-16-13-10-15-3-2-12(13)14(17)18/h11,15H,2-10H2,1H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of -0.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).