3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid

C15H13N3O3 — CID 79591959

IUPAC3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
SMILESCCn1ccnc1Oc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C15H13N3O3/c1-2-18-8-7-16-15(18)21-12-9-17-11-6-4-3-5-10(11)13(12)14(19)20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyIWWQIAVTUDVHIF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.94
Rot. Bonds4

About 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid

3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid (PubChem CID 79591959) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
PubChem CID79591959
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
SMILESCCn1ccnc1Oc1cnc2ccccc2c1C(=O)O
InChIInChI=1S/C15H13N3O3/c1-2-18-8-7-16-15(18)21-12-9-17-11-6-4-3-5-10(11)13(12)14(19)20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyIWWQIAVTUDVHIF-UHFFFAOYSA-N
XLogP2.94
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid?
The IUPAC name of 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid (CID 79591959) is 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid is CCn1ccnc1Oc1cnc2ccccc2c1C(=O)O.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid?
The InChIKey is IWWQIAVTUDVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-18-8-7-16-15(18)21-12-9-17-11-6-4-3-5-10(11)13(12)14(19)20/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid?
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid is sourced from PubChem (CID 79591959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).