4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one

C14H21N3O2 — CID 3070295

IUPAC4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN(CC)CCN1C(=O)C(C)Oc2cccnc21
InChIInChI=1S/C14H21N3O2/c1-4-16(5-2)9-10-17-13-12(7-6-8-15-13)19-11(3)14(17)18/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyKVWMUORTZPJQCM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.54
Rot. Bonds5

About 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one

4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 3070295) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID3070295
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN(CC)CCN1C(=O)C(C)Oc2cccnc21
InChIInChI=1S/C14H21N3O2/c1-4-16(5-2)9-10-17-13-12(7-6-8-15-13)19-11(3)14(17)18/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyKVWMUORTZPJQCM-UHFFFAOYSA-N
XLogP1.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 3070295) is 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one is CCN(CC)CCN1C(=O)C(C)Oc2cccnc21.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is KVWMUORTZPJQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16(5-2)9-10-17-13-12(7-6-8-15-13)19-11(3)14(17)18/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 3070295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).