1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one

C17H12N2O2 — CID 102478251

IUPAC1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
SMILESO=C1NC(c2ccccc2)c2c(ccc3ncccc23)O1
InChIInChI=1S/C17H12N2O2/c20-17-19-16(11-5-2-1-3-6-11)15-12-7-4-10-18-13(12)8-9-14(15)21-17/h1-10,16H,(H,19,20)
InChIKeyFLLYQRYTSGVPEU-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.43
Rot. Bonds1

About 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one

1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one (PubChem CID 102478251) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
PubChem CID102478251
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
SMILESO=C1NC(c2ccccc2)c2c(ccc3ncccc23)O1
InChIInChI=1S/C17H12N2O2/c20-17-19-16(11-5-2-1-3-6-11)15-12-7-4-10-18-13(12)8-9-14(15)21-17/h1-10,16H,(H,19,20)
InChIKeyFLLYQRYTSGVPEU-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The IUPAC name of 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one (CID 102478251) is 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one.
What is the SMILES notation for 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The canonical SMILES for 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one is O=C1NC(c2ccccc2)c2c(ccc3ncccc23)O1.
What is the InChIKey of 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The InChIKey is FLLYQRYTSGVPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17-19-16(11-5-2-1-3-6-11)15-12-7-4-10-18-13(12)8-9-14(15)21-17/h1-10,16H,(H,19,20).
What are the key properties of 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one has a molecular weight of 276.30 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 102478251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).