ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate

C17H16N2O3 — CID 709114

IUPACethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NCc1ccco1
InChIInChI=1S/C17H16N2O3/c1-2-21-17(20)14-11-18-15-8-4-3-7-13(15)16(14)19-10-12-6-5-9-22-12/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyKEIOFZHOWYVQGN-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.62
Rot. Bonds5

About ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate

ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate (PubChem CID 709114) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
PubChem CID709114
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NCc1ccco1
InChIInChI=1S/C17H16N2O3/c1-2-21-17(20)14-11-18-15-8-4-3-7-13(15)16(14)19-10-12-6-5-9-22-12/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyKEIOFZHOWYVQGN-UHFFFAOYSA-N
XLogP3.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate (CID 709114) is ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1NCc1ccco1.
What is the InChIKey of ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The InChIKey is KEIOFZHOWYVQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-21-17(20)14-11-18-15-8-4-3-7-13(15)16(14)19-10-12-6-5-9-22-12/h3-9,11H,2,10H2,1H3,(H,18,19).
What are the key properties of ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 709114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).