ethyl 3-amino-4-oxoquinolizine-1-carboxylate

C12H12N2O3 — CID 10489725

IUPACethyl 3-amino-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(N)c(=O)n2ccccc12
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)8-7-9(13)11(15)14-6-4-3-5-10(8)14/h3-7H,2,13H2,1H3
InChIKeyWSGMHLVWZZXAED-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.06
Rot. Bonds2

About ethyl 3-amino-4-oxoquinolizine-1-carboxylate

ethyl 3-amino-4-oxoquinolizine-1-carboxylate (PubChem CID 10489725) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 3-amino-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-oxoquinolizine-1-carboxylate
PubChem CID10489725
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 3-amino-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(N)c(=O)n2ccccc12
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)8-7-9(13)11(15)14-6-4-3-5-10(8)14/h3-7H,2,13H2,1H3
InChIKeyWSGMHLVWZZXAED-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-amino-4-oxoquinolizine-1-carboxylate (CID 10489725) is ethyl 3-amino-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-amino-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1cc(N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-amino-4-oxoquinolizine-1-carboxylate?
The InChIKey is WSGMHLVWZZXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-12(16)8-7-9(13)11(15)14-6-4-3-5-10(8)14/h3-7H,2,13H2,1H3.
What are the key properties of ethyl 3-amino-4-oxoquinolizine-1-carboxylate?
ethyl 3-amino-4-oxoquinolizine-1-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 3-amino-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 10489725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).