1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one

C17H11ClN2O2 — CID 102478248

IUPAC1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
SMILESO=C1NC(c2ccc(Cl)cc2)c2c(ccc3ncccc23)O1
InChIInChI=1S/C17H11ClN2O2/c18-11-5-3-10(4-6-11)16-15-12-2-1-9-19-13(12)7-8-14(15)22-17(21)20-16/h1-9,16H,(H,20,21)
InChIKeyCNYNEWMZIDNHLM-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.08
Rot. Bonds1

About 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one

1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one (PubChem CID 102478248) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
PubChem CID102478248
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
SMILESO=C1NC(c2ccc(Cl)cc2)c2c(ccc3ncccc23)O1
InChIInChI=1S/C17H11ClN2O2/c18-11-5-3-10(4-6-11)16-15-12-2-1-9-19-13(12)7-8-14(15)22-17(21)20-16/h1-9,16H,(H,20,21)
InChIKeyCNYNEWMZIDNHLM-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The IUPAC name of 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one (CID 102478248) is 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one is O=C1NC(c2ccc(Cl)cc2)c2c(ccc3ncccc23)O1.
What is the InChIKey of 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The InChIKey is CNYNEWMZIDNHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-11-5-3-10(4-6-11)16-15-12-2-1-9-19-13(12)7-8-14(15)22-17(21)20-16/h1-9,16H,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one has a molecular weight of 310.74 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 102478248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).