6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C23H16FN3O2 — CID 90095747

IUPAC6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)NC(=O)CO3)ccc1F
InChIInChI=1S/C23H16FN3O2/c1-13-9-16(4-6-18(13)24)22-17(11-20-23(27-22)29-12-21(28)26-20)14-5-7-19-15(10-14)3-2-8-25-19/h2-11H,12H2,1H3,(H,26,28)
InChIKeyCADYXSFDUBZECG-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.74
Rot. Bonds2

About 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one

6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 90095747) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID90095747
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)NC(=O)CO3)ccc1F
InChIInChI=1S/C23H16FN3O2/c1-13-9-16(4-6-18(13)24)22-17(11-20-23(27-22)29-12-21(28)26-20)14-5-7-19-15(10-14)3-2-8-25-19/h2-11H,12H2,1H3,(H,26,28)
InChIKeyCADYXSFDUBZECG-UHFFFAOYSA-N
XLogP4.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 90095747) is 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one is Cc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)NC(=O)CO3)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is CADYXSFDUBZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c1-13-9-16(4-6-18(13)24)22-17(11-20-23(27-22)29-12-21(28)26-20)14-5-7-19-15(10-14)3-2-8-25-19/h2-11H,12H2,1H3,(H,26,28).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 385.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 90095747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).