6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one

C19H23N3O3 — CID 110831683

IUPAC6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC1Oc2ccc(N)nc2N(CCCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C19H23N3O3/c1-3-15-19(23)22(18-16(25-15)9-10-17(20)21-18)11-4-12-24-14-7-5-13(2)6-8-14/h5-10,15H,3-4,11-12H2,1-2H3,(H2,20,21)
InChIKeyPXJNLIVDXFNFFF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds6

About 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one

6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 110831683) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID110831683
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC1Oc2ccc(N)nc2N(CCCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C19H23N3O3/c1-3-15-19(23)22(18-16(25-15)9-10-17(20)21-18)11-4-12-24-14-7-5-13(2)6-8-14/h5-10,15H,3-4,11-12H2,1-2H3,(H2,20,21)
InChIKeyPXJNLIVDXFNFFF-UHFFFAOYSA-N
XLogP2.95
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 110831683) is 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one is CCC1Oc2ccc(N)nc2N(CCCOc2ccc(C)cc2)C1=O.
What is the InChIKey of 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PXJNLIVDXFNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-15-19(23)22(18-16(25-15)9-10-17(20)21-18)11-4-12-24-14-7-5-13(2)6-8-14/h5-10,15H,3-4,11-12H2,1-2H3,(H2,20,21).
What are the key properties of 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one?
6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-4-[3-(4-methylphenoxy)propyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 110831683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).