2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid

C15H12N2O6 — CID 12784567

IUPAC2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid
SMILESCCOC(=O)c1cnc2n(c1=O)-c1ccc(C(=O)O)cc1OC2
InChIInChI=1S/C15H12N2O6/c1-2-22-15(21)9-6-16-12-7-23-11-5-8(14(19)20)3-4-10(11)17(12)13(9)18/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyFIOBMCVRAPMKIU-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.00
Rot. Bonds3

About 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid

2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid (PubChem CID 12784567) has the molecular formula C15H12N2O6 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid
PubChem CID12784567
Molecular FormulaC15H12N2O6
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Name2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid
SMILESCCOC(=O)c1cnc2n(c1=O)-c1ccc(C(=O)O)cc1OC2
InChIInChI=1S/C15H12N2O6/c1-2-22-15(21)9-6-16-12-7-23-11-5-8(14(19)20)3-4-10(11)17(12)13(9)18/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyFIOBMCVRAPMKIU-UHFFFAOYSA-N
XLogP1.00
TPSA107.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 12778914
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709
ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
CID 118006121
ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate
CID 86737528
ethyl (9Z)-9-(2-ethoxy-1-hydroxy-2-oxoethylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 177476049
4-ethoxycarbonylbenzene-1,3-dicarboxylic acid;hydrate
CID 174539345
4-heptyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82025318
ethyl 3-amino-2H-1,4-benzoxazine-7-carboxylate
CID 12873422
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
4-[4-chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-ethoxycarbonylbenzoic acid
CID 90144801
ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 139230217
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 7454231

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid (CID 12784567) is 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid is CCOC(=O)c1cnc2n(c1=O)-c1ccc(C(=O)O)cc1OC2.
What is the InChIKey of 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid?
The InChIKey is FIOBMCVRAPMKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6/c1-2-22-15(21)9-6-16-12-7-23-11-5-8(14(19)20)3-4-10(11)17(12)13(9)18/h3-6H,2,7H2,1H3,(H,19,20).
What are the key properties of 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid?
2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid has a molecular weight of 316.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid is sourced from PubChem (CID 12784567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).