6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

C19H20N4O2 — CID 30467465

IUPAC6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-2-25-15-7-5-14(6-8-15)23-12-9-17-16(18(23)24)13-20-19(21-17)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyHYEYCXHVIGZTGT-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.78
Rot. Bonds4

About 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 30467465) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID30467465
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-2-25-15-7-5-14(6-8-15)23-12-9-17-16(18(23)24)13-20-19(21-17)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyHYEYCXHVIGZTGT-UHFFFAOYSA-N
XLogP2.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 30467465) is 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is CCOc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is HYEYCXHVIGZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-15-7-5-14(6-8-15)23-12-9-17-16(18(23)24)13-20-19(21-17)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 336.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 30467465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).