ethyl 4-amino-8-fluoroquinoline-3-carboxylate

C12H11FN2O2 — CID 17028187

IUPACethyl 4-amino-8-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cccc2c1N
InChIInChI=1S/C12H11FN2O2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyVEQPOVUAOUJZIU-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.13
Rot. Bonds2

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

ethyl 4-amino-8-fluoroquinoline-3-carboxylate (PubChem CID 17028187) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is ethyl 4-amino-8-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-8-fluoroquinoline-3-carboxylate
PubChem CID17028187
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Nameethyl 4-amino-8-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cccc2c1N
InChIInChI=1S/C12H11FN2O2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyVEQPOVUAOUJZIU-UHFFFAOYSA-N
XLogP2.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-8-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-8-fluoroquinoline-3-carboxylate (CID 17028187) is ethyl 4-amino-8-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-8-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-8-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)cccc2c1N.
What is the InChIKey of ethyl 4-amino-8-fluoroquinoline-3-carboxylate?
The InChIKey is VEQPOVUAOUJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3,(H2,14,15).
What are the key properties of ethyl 4-amino-8-fluoroquinoline-3-carboxylate?
ethyl 4-amino-8-fluoroquinoline-3-carboxylate has a molecular weight of 234.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-8-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 17028187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).