ethyl 8-amino-4-oxoquinolizine-3-carboxylate

C12H12N2O3 — CID 20634156

IUPACethyl 8-amino-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1ccc2cc(N)ccn2c1=O
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)10-4-3-9-7-8(13)5-6-14(9)11(10)15/h3-7H,2,13H2,1H3
InChIKeyCPTMVXHMDDLAAM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.06
Rot. Bonds2

About ethyl 8-amino-4-oxoquinolizine-3-carboxylate

ethyl 8-amino-4-oxoquinolizine-3-carboxylate (PubChem CID 20634156) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 8-amino-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-4-oxoquinolizine-3-carboxylate
PubChem CID20634156
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 8-amino-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1ccc2cc(N)ccn2c1=O
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)10-4-3-9-7-8(13)5-6-14(9)11(10)15/h3-7H,2,13H2,1H3
InChIKeyCPTMVXHMDDLAAM-UHFFFAOYSA-N
XLogP1.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 8-azido-4-oxoquinolizine-3-carboxylate
CID 20634157
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
ethyl 7-[bromo(dimethylamino)methyl]-4-oxoquinolizine-3-carboxylate
CID 146264603
ethyl 6-chloro-4-oxoquinolizine-3-carboxylate
CID 163320844
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 8-chloro-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56608591

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 8-amino-4-oxoquinolizine-3-carboxylate (CID 20634156) is ethyl 8-amino-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 8-amino-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1ccc2cc(N)ccn2c1=O.
What is the InChIKey of ethyl 8-amino-4-oxoquinolizine-3-carboxylate?
The InChIKey is CPTMVXHMDDLAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-12(16)10-4-3-9-7-8(13)5-6-14(9)11(10)15/h3-7H,2,13H2,1H3.
What are the key properties of ethyl 8-amino-4-oxoquinolizine-3-carboxylate?
ethyl 8-amino-4-oxoquinolizine-3-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 20634156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).