methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate

C12H8N2O4 — CID 54772698

IUPACmethyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate
SMILESCOC(=O)c1cccc2c1ncc1c(=O)o[nH]c12
InChIInChI=1S/C12H8N2O4/c1-17-11(15)7-4-2-3-6-9(7)13-5-8-10(6)14-18-12(8)16/h2-5,14H,1H3
InChIKeyWGSIBIDJMHTUSH-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.46
Rot. Bonds1

About methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate

methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate (PubChem CID 54772698) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate
PubChem CID54772698
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Namemethyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate
SMILESCOC(=O)c1cccc2c1ncc1c(=O)o[nH]c12
InChIInChI=1S/C12H8N2O4/c1-17-11(15)7-4-2-3-6-9(7)13-5-8-10(6)14-18-12(8)16/h2-5,14H,1H3
InChIKeyWGSIBIDJMHTUSH-UHFFFAOYSA-N
XLogP1.46
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-1H-2,1-benzoxazole-7-carboxylic acid
CID 105437801
methyl 2-oxo-1H-quinazoline-5-carboxylate
CID 174971461
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
methyl 4-diazenylquinoline-8-carboxylate
CID 175138505
(2-methyl-1,3-benzoxazol-4-yl)methanol;methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 158641727
methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate
CID 139232593
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate?
The IUPAC name of methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate (CID 54772698) is methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate?
The canonical SMILES for methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate is COC(=O)c1cccc2c1ncc1c(=O)o[nH]c12.
What is the InChIKey of methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate?
The InChIKey is WGSIBIDJMHTUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c1-17-11(15)7-4-2-3-6-9(7)13-5-8-10(6)14-18-12(8)16/h2-5,14H,1H3.
What are the key properties of methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate?
methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate has a molecular weight of 244.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate is sourced from PubChem (CID 54772698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).