(E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal

C19H17FN2O3 — CID 15018295

IUPAC(E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1/C=C/C=O)COC(=O)N2
InChIInChI=1S/C19H17FN2O3/c1-11(2)17-14(4-3-9-23)16(12-5-7-13(20)8-6-12)15-10-25-19(24)22-18(15)21-17/h3-9,11H,10H2,1-2H3,(H,21,22,24)/b4-3+
InChIKeyUOZNVMAGJXSLLJ-ONEGZZNKSA-N
MW340.35 g/mol
LogP4.29
Rot. Bonds4

About (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal

(E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal (PubChem CID 15018295) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal
PubChem CID15018295
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1/C=C/C=O)COC(=O)N2
InChIInChI=1S/C19H17FN2O3/c1-11(2)17-14(4-3-9-23)16(12-5-7-13(20)8-6-12)15-10-25-19(24)22-18(15)21-17/h3-9,11H,10H2,1-2H3,(H,21,22,24)/b4-3+
InChIKeyUOZNVMAGJXSLLJ-ONEGZZNKSA-N
XLogP4.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal (CID 15018295) is (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1/C=C/C=O)COC(=O)N2.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal?
The InChIKey is UOZNVMAGJXSLLJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11(2)17-14(4-3-9-23)16(12-5-7-13(20)8-6-12)15-10-25-19(24)22-18(15)21-17/h3-9,11H,10H2,1-2H3,(H,21,22,24)/b4-3+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal?
(E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal has a molecular weight of 340.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)-2-oxo-7-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]prop-2-enal is sourced from PubChem (CID 15018295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).