2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C19H23N3O3 — CID 53193808

IUPAC2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCc1nc(C)c2c(n1)N(CCOc1ccccc1OC)C(=O)CC2
InChIInChI=1S/C19H23N3O3/c1-4-17-20-13(2)14-9-10-18(23)22(19(14)21-17)11-12-25-16-8-6-5-7-15(16)24-3/h5-8H,4,9-12H2,1-3H3
InChIKeyBMJPLHRIZFAQHQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.71
Rot. Bonds6

About 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193808) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193808
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCc1nc(C)c2c(n1)N(CCOc1ccccc1OC)C(=O)CC2
InChIInChI=1S/C19H23N3O3/c1-4-17-20-13(2)14-9-10-18(23)22(19(14)21-17)11-12-25-16-8-6-5-7-15(16)24-3/h5-8H,4,9-12H2,1-3H3
InChIKeyBMJPLHRIZFAQHQ-UHFFFAOYSA-N
XLogP2.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193808) is 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCc1nc(C)c2c(n1)N(CCOc1ccccc1OC)C(=O)CC2.
What is the InChIKey of 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BMJPLHRIZFAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-17-20-13(2)14-9-10-18(23)22(19(14)21-17)11-12-25-16-8-6-5-7-15(16)24-3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 341.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).