6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C26H28N4O3 — CID 52906199

IUPAC6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1
InChIInChI=1S/C26H28N4O3/c1-3-28-12-11-21-20(16-28)26(32)30(25(27-21)19-7-5-4-6-8-19)17-24(31)29-13-14-33-23-10-9-18(2)15-22(23)29/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyLVFZEIJBZUZNOY-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.02
Rot. Bonds4

About 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 52906199) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID52906199
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1
InChIInChI=1S/C26H28N4O3/c1-3-28-12-11-21-20(16-28)26(32)30(25(27-21)19-7-5-4-6-8-19)17-24(31)29-13-14-33-23-10-9-18(2)15-22(23)29/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyLVFZEIJBZUZNOY-UHFFFAOYSA-N
XLogP3.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 52906199) is 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is CCN1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1.
What is the InChIKey of 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LVFZEIJBZUZNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-3-28-12-11-21-20(16-28)26(32)30(25(27-21)19-7-5-4-6-8-19)17-24(31)29-13-14-33-23-10-9-18(2)15-22(23)29/h4-10,15H,3,11-14,16-17H2,1-2H3.
What are the key properties of 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 444.54 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 52906199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).