3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide

C18H17N3O4 — CID 134113602

IUPAC3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
SMILESC=CCN1C(=O)COc2ccc(NC(=O)c3cccc(OC)c3)nc21
InChIInChI=1S/C18H17N3O4/c1-3-9-21-16(22)11-25-14-7-8-15(19-17(14)21)20-18(23)12-5-4-6-13(10-12)24-2/h3-8,10H,1,9,11H2,2H3,(H,19,20,23)
InChIKeyDXSBKEVUWBCACV-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.25
Rot. Bonds5

About 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide

3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide (PubChem CID 134113602) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
PubChem CID134113602
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
SMILESC=CCN1C(=O)COc2ccc(NC(=O)c3cccc(OC)c3)nc21
InChIInChI=1S/C18H17N3O4/c1-3-9-21-16(22)11-25-14-7-8-15(19-17(14)21)20-18(23)12-5-4-6-13(10-12)24-2/h3-8,10H,1,9,11H2,2H3,(H,19,20,23)
InChIKeyDXSBKEVUWBCACV-UHFFFAOYSA-N
XLogP2.25
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
CID 134104412
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
3-methoxy-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29105150
4-methyl-N-[4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20997475
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
CID 46106932
methyl 7-amino-3-oxo-4-prop-2-enyl-1,4-benzoxazine-6-carboxylate
CID 169171351
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 954212
N-[5-methyl-4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20997508

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The IUPAC name of 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide (CID 134113602) is 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide is C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(OC)c3)nc21.
What is the InChIKey of 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The InChIKey is DXSBKEVUWBCACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-9-21-16(22)11-25-14-7-8-15(19-17(14)21)20-18(23)12-5-4-6-13(10-12)24-2/h3-8,10H,1,9,11H2,2H3,(H,19,20,23).
What are the key properties of 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide is sourced from PubChem (CID 134113602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).