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

C17H14ClN3O3 — CID 134104412

IUPAC3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
SMILESC=CCN1C(=O)COc2ccc(NC(=O)c3cccc(Cl)c3)nc21
InChIInChI=1S/C17H14ClN3O3/c1-2-8-21-15(22)10-24-13-6-7-14(19-16(13)21)20-17(23)11-4-3-5-12(18)9-11/h2-7,9H,1,8,10H2,(H,19,20,23)
InChIKeyCWMYRUDUVJSSAU-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.90
Rot. Bonds4

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

3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide (PubChem CID 134104412) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
PubChem CID134104412
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
SMILESC=CCN1C(=O)COc2ccc(NC(=O)c3cccc(Cl)c3)nc21
InChIInChI=1S/C17H14ClN3O3/c1-2-8-21-15(22)10-24-13-6-7-14(19-16(13)21)20-17(23)11-4-3-5-12(18)9-11/h2-7,9H,1,8,10H2,(H,19,20,23)
InChIKeyCWMYRUDUVJSSAU-UHFFFAOYSA-N
XLogP2.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The IUPAC name of 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide (CID 134104412) is 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide is C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(Cl)c3)nc21.
What is the InChIKey of 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The InChIKey is CWMYRUDUVJSSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-2-8-21-15(22)10-24-13-6-7-14(19-16(13)21)20-17(23)11-4-3-5-12(18)9-11/h2-7,9H,1,8,10H2,(H,19,20,23).
What are the key properties of 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide has a molecular weight of 343.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide is sourced from PubChem (CID 134104412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).