2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate

C19H15FN2O3 — CID 4088302

IUPAC2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate
SMILESO=C(OCCNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O3/c20-15-8-5-14(6-9-15)19(24)25-12-11-21-18(23)17-10-7-13-3-1-2-4-16(13)22-17/h1-10H,11-12H2,(H,21,23)
InChIKeyFNODCKRHYGXUCP-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.96
Rot. Bonds5

About 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate

2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate (PubChem CID 4088302) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate.

Molecular Properties

Compound Name2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate
PubChem CID4088302
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate
SMILESO=C(OCCNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O3/c20-15-8-5-14(6-9-15)19(24)25-12-11-21-18(23)17-10-7-13-3-1-2-4-16(13)22-17/h1-10H,11-12H2,(H,21,23)
InChIKeyFNODCKRHYGXUCP-UHFFFAOYSA-N
XLogP2.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate?
The IUPAC name of 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate (CID 4088302) is 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate.
What is the SMILES notation for 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate?
The canonical SMILES for 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate is O=C(OCCNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate?
The InChIKey is FNODCKRHYGXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-15-8-5-14(6-9-15)19(24)25-12-11-21-18(23)17-10-7-13-3-1-2-4-16(13)22-17/h1-10H,11-12H2,(H,21,23).
What are the key properties of 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate?
2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate has a molecular weight of 338.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoline-2-carbonylamino)ethyl 4-fluorobenzoate is sourced from PubChem (CID 4088302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).