ethyl 4-aminoquinoline-2-carboxylate

C12H12N2O2 — CID 73012984

IUPACethyl 4-aminoquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyYHNJLVCIOXNAFA-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.99
Rot. Bonds2

About ethyl 4-aminoquinoline-2-carboxylate

ethyl 4-aminoquinoline-2-carboxylate (PubChem CID 73012984) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 4-aminoquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-aminoquinoline-2-carboxylate
PubChem CID73012984
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 4-aminoquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyYHNJLVCIOXNAFA-UHFFFAOYSA-N
XLogP1.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminoquinoline-2-carboxylate?
The IUPAC name of ethyl 4-aminoquinoline-2-carboxylate (CID 73012984) is ethyl 4-aminoquinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-aminoquinoline-2-carboxylate?
The canonical SMILES for ethyl 4-aminoquinoline-2-carboxylate is CCOC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of ethyl 4-aminoquinoline-2-carboxylate?
The InChIKey is YHNJLVCIOXNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 4-aminoquinoline-2-carboxylate?
ethyl 4-aminoquinoline-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminoquinoline-2-carboxylate is sourced from PubChem (CID 73012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).