6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C18H18FN3O3 — CID 66996514

IUPAC6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CN(c2ccc3c(n2)NC(=O)CO3)C(c2cccc(F)c2)CO1
InChIInChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-3-2-4-13(19)7-12)16-6-5-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)
InChIKeyWDCXFCOVWKKBNE-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.52
Rot. Bonds2

About 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66996514) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66996514
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CN(c2ccc3c(n2)NC(=O)CO3)C(c2cccc(F)c2)CO1
InChIInChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-3-2-4-13(19)7-12)16-6-5-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)
InChIKeyWDCXFCOVWKKBNE-UHFFFAOYSA-N
XLogP2.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66996514) is 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC1CN(c2ccc3c(n2)NC(=O)CO3)C(c2cccc(F)c2)CO1.
What is the InChIKey of 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WDCXFCOVWKKBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-3-2-4-13(19)7-12)16-6-5-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23).
What are the key properties of 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 343.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66996514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).