3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one

C19H20N2O4 — CID 147731137

IUPAC3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one
SMILESCOc1ccc(C2=NOc3cc(=O)cc(C)n3C2)cc1OCC1CC1
InChIInChI=1S/C19H20N2O4/c1-12-7-15(22)9-19-21(12)10-16(20-25-19)14-5-6-17(23-2)18(8-14)24-11-13-3-4-13/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyGYLHADBFSQQHTA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.75
Rot. Bonds5

About 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one

3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one (PubChem CID 147731137) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one
PubChem CID147731137
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one
SMILESCOc1ccc(C2=NOc3cc(=O)cc(C)n3C2)cc1OCC1CC1
InChIInChI=1S/C19H20N2O4/c1-12-7-15(22)9-19-21(12)10-16(20-25-19)14-5-6-17(23-2)18(8-14)24-11-13-3-4-13/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyGYLHADBFSQQHTA-UHFFFAOYSA-N
XLogP2.75
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-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 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one?
The IUPAC name of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one (CID 147731137) is 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one is COc1ccc(C2=NOc3cc(=O)cc(C)n3C2)cc1OCC1CC1.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one?
The InChIKey is GYLHADBFSQQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-7-15(22)9-19-21(12)10-16(20-25-19)14-5-6-17(23-2)18(8-14)24-11-13-3-4-13/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one?
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one has a molecular weight of 340.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one is sourced from PubChem (CID 147731137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).