(5-chloroquinolin-8-yl) pyridine-3-carboxylate

C15H9ClN2O2 — CID 746299

IUPAC(5-chloroquinolin-8-yl) pyridine-3-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-12-5-6-13(14-11(12)4-2-8-18-14)20-15(19)10-3-1-7-17-9-10/h1-9H
InChIKeyTZPKUYDXEWNSDK-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.50
Rot. Bonds2

About (5-chloroquinolin-8-yl) pyridine-3-carboxylate

(5-chloroquinolin-8-yl) pyridine-3-carboxylate (PubChem CID 746299) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) pyridine-3-carboxylate
PubChem CID746299
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name(5-chloroquinolin-8-yl) pyridine-3-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-12-5-6-13(14-11(12)4-2-8-18-14)20-15(19)10-3-1-7-17-9-10/h1-9H
InChIKeyTZPKUYDXEWNSDK-UHFFFAOYSA-N
XLogP3.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) pyridine-3-carboxylate?
The IUPAC name of (5-chloroquinolin-8-yl) pyridine-3-carboxylate (CID 746299) is (5-chloroquinolin-8-yl) pyridine-3-carboxylate.
What is the SMILES notation for (5-chloroquinolin-8-yl) pyridine-3-carboxylate?
The canonical SMILES for (5-chloroquinolin-8-yl) pyridine-3-carboxylate is O=C(Oc1ccc(Cl)c2cccnc12)c1cccnc1.
What is the InChIKey of (5-chloroquinolin-8-yl) pyridine-3-carboxylate?
The InChIKey is TZPKUYDXEWNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-12-5-6-13(14-11(12)4-2-8-18-14)20-15(19)10-3-1-7-17-9-10/h1-9H.
What are the key properties of (5-chloroquinolin-8-yl) pyridine-3-carboxylate?
(5-chloroquinolin-8-yl) pyridine-3-carboxylate has a molecular weight of 284.70 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) pyridine-3-carboxylate is sourced from PubChem (CID 746299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).