ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate

C14H16N2O3 — CID 656280

IUPACethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NCCO
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)11-9-16-12-6-4-3-5-10(12)13(11)15-7-8-17/h3-6,9,17H,2,7-8H2,1H3,(H,15,16)
InChIKeyQBDVAMMHCDDOBS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate

ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate (PubChem CID 656280) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate
PubChem CID656280
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NCCO
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)11-9-16-12-6-4-3-5-10(12)13(11)15-7-8-17/h3-6,9,17H,2,7-8H2,1H3,(H,15,16)
InChIKeyQBDVAMMHCDDOBS-UHFFFAOYSA-N
XLogP1.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate (CID 656280) is ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1NCCO.
What is the InChIKey of ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate?
The InChIKey is QBDVAMMHCDDOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-14(18)11-9-16-12-6-4-3-5-10(12)13(11)15-7-8-17/h3-6,9,17H,2,7-8H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate?
ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 656280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).