methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate

C9H10N2O3 — CID 130058392

IUPACmethyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NCCO2
InChIInChI=1S/C9H10N2O3/c1-13-9(12)6-2-3-7-8(11-6)10-4-5-14-7/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyXDIWJTWEWPGKEC-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.67
Rot. Bonds1

About methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate

methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate (PubChem CID 130058392) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate
PubChem CID130058392
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NCCO2
InChIInChI=1S/C9H10N2O3/c1-13-9(12)6-2-3-7-8(11-6)10-4-5-14-7/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyXDIWJTWEWPGKEC-UHFFFAOYSA-N
XLogP0.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate?
The IUPAC name of methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate (CID 130058392) is methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate.
What is the SMILES notation for methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate?
The canonical SMILES for methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate is COC(=O)c1ccc2c(n1)NCCO2.
What is the InChIKey of methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate?
The InChIKey is XDIWJTWEWPGKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-13-9(12)6-2-3-7-8(11-6)10-4-5-14-7/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate?
methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate is sourced from PubChem (CID 130058392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).