2-hydroxyethyl 2H-quinoline-1-carboxylate

C12H13NO3 — CID 139922585

IUPAC2-hydroxyethyl 2H-quinoline-1-carboxylate
SMILESO=C(OCCO)N1CC=Cc2ccccc21
InChIInChI=1S/C12H13NO3/c14-8-9-16-12(15)13-7-3-5-10-4-1-2-6-11(10)13/h1-6,14H,7-9H2
InChIKeyPDKUHEUQRXBFKH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.65
Rot. Bonds2

About 2-hydroxyethyl 2H-quinoline-1-carboxylate

2-hydroxyethyl 2H-quinoline-1-carboxylate (PubChem CID 139922585) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2H-quinoline-1-carboxylate
PubChem CID139922585
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-hydroxyethyl 2H-quinoline-1-carboxylate
SMILESO=C(OCCO)N1CC=Cc2ccccc21
InChIInChI=1S/C12H13NO3/c14-8-9-16-12(15)13-7-3-5-10-4-1-2-6-11(10)13/h1-6,14H,7-9H2
InChIKeyPDKUHEUQRXBFKH-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2H-quinoline-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 2H-quinoline-1-carboxylate (CID 139922585) is 2-hydroxyethyl 2H-quinoline-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2H-quinoline-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2H-quinoline-1-carboxylate is O=C(OCCO)N1CC=Cc2ccccc21.
What is the InChIKey of 2-hydroxyethyl 2H-quinoline-1-carboxylate?
The InChIKey is PDKUHEUQRXBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-8-9-16-12(15)13-7-3-5-10-4-1-2-6-11(10)13/h1-6,14H,7-9H2.
What are the key properties of 2-hydroxyethyl 2H-quinoline-1-carboxylate?
2-hydroxyethyl 2H-quinoline-1-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2H-quinoline-1-carboxylate is sourced from PubChem (CID 139922585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).