(3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane

C19H13BClNOS — CID 10020749

IUPAC(3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane
SMILESClc1cccc(B(Oc2cccc3cccnc23)c2cccs2)c1
InChIInChI=1S/C19H13BClNOS/c21-16-8-2-7-15(13-16)20(18-10-4-12-24-18)23-17-9-1-5-14-6-3-11-22-19(14)17/h1-13H
InChIKeyANZLCTRFPWOTEN-UHFFFAOYSA-N
MW349.65 g/mol
LogP4.13
Rot. Bonds4

About (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane

(3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane (PubChem CID 10020749) has the molecular formula C19H13BClNOS and a molecular weight of 349.65 g/mol. Its IUPAC name is (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane.

Molecular Properties

Compound Name(3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane
PubChem CID10020749
Molecular FormulaC19H13BClNOS
Molecular Weight349.65 g/mol
Exact Mass349.05
IUPAC Name(3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane
SMILESClc1cccc(B(Oc2cccc3cccnc23)c2cccs2)c1
InChIInChI=1S/C19H13BClNOS/c21-16-8-2-7-15(13-16)20(18-10-4-12-24-18)23-17-9-1-5-14-6-3-11-22-19(14)17/h1-13H
InChIKeyANZLCTRFPWOTEN-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane?
The IUPAC name of (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane (CID 10020749) is (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane.
What is the SMILES notation for (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane?
The canonical SMILES for (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane is Clc1cccc(B(Oc2cccc3cccnc23)c2cccs2)c1.
What is the InChIKey of (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane?
The InChIKey is ANZLCTRFPWOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BClNOS/c21-16-8-2-7-15(13-16)20(18-10-4-12-24-18)23-17-9-1-5-14-6-3-11-22-19(14)17/h1-13H.
What are the key properties of (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane?
(3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane has a molecular weight of 349.65 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-quinolin-8-yloxy-thiophen-2-ylborane is sourced from PubChem (CID 10020749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).