7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid

C14H13NO5 — CID 156841173

IUPAC7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid
SMILESCc1c(-c2ccco2)c(=O)c(C(=O)O)c2n1CCOC2
InChIInChI=1S/C14H13NO5/c1-8-11(10-3-2-5-20-10)13(16)12(14(17)18)9-7-19-6-4-15(8)9/h2-3,5H,4,6-7H2,1H3,(H,17,18)
InChIKeyXPMDSUZQGWLABO-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.65
Rot. Bonds2

About 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid

7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid (PubChem CID 156841173) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid.

Molecular Properties

Compound Name7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid
PubChem CID156841173
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid
SMILESCc1c(-c2ccco2)c(=O)c(C(=O)O)c2n1CCOC2
InChIInChI=1S/C14H13NO5/c1-8-11(10-3-2-5-20-10)13(16)12(14(17)18)9-7-19-6-4-15(8)9/h2-3,5H,4,6-7H2,1H3,(H,17,18)
InChIKeyXPMDSUZQGWLABO-UHFFFAOYSA-N
XLogP1.65
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid?
The IUPAC name of 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid (CID 156841173) is 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid.
What is the SMILES notation for 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid?
The canonical SMILES for 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid is Cc1c(-c2ccco2)c(=O)c(C(=O)O)c2n1CCOC2.
What is the InChIKey of 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid?
The InChIKey is XPMDSUZQGWLABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8-11(10-3-2-5-20-10)13(16)12(14(17)18)9-7-19-6-4-15(8)9/h2-3,5H,4,6-7H2,1H3,(H,17,18).
What are the key properties of 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid?
7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid is sourced from PubChem (CID 156841173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).