methyl-quinolin-8-yloxy-thiophen-2-ylborane

C14H12BNOS — CID 10377554

IUPACmethyl-quinolin-8-yloxy-thiophen-2-ylborane
SMILESCB(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C14H12BNOS/c1-15(13-8-4-10-18-13)17-12-7-2-5-11-6-3-9-16-14(11)12/h2-10H,1H3
InChIKeyAPOUKBHIUWBZNZ-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.20
Rot. Bonds3

About methyl-quinolin-8-yloxy-thiophen-2-ylborane

methyl-quinolin-8-yloxy-thiophen-2-ylborane (PubChem CID 10377554) has the molecular formula C14H12BNOS and a molecular weight of 253.14 g/mol. Its IUPAC name is methyl-quinolin-8-yloxy-thiophen-2-ylborane.

Molecular Properties

Compound Namemethyl-quinolin-8-yloxy-thiophen-2-ylborane
PubChem CID10377554
Molecular FormulaC14H12BNOS
Molecular Weight253.14 g/mol
Exact Mass253.07
IUPAC Namemethyl-quinolin-8-yloxy-thiophen-2-ylborane
SMILESCB(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C14H12BNOS/c1-15(13-8-4-10-18-13)17-12-7-2-5-11-6-3-9-16-14(11)12/h2-10H,1H3
InChIKeyAPOUKBHIUWBZNZ-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.20
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 methyl-quinolin-8-yloxy-thiophen-2-ylborane?
The IUPAC name of methyl-quinolin-8-yloxy-thiophen-2-ylborane (CID 10377554) is methyl-quinolin-8-yloxy-thiophen-2-ylborane.
What is the SMILES notation for methyl-quinolin-8-yloxy-thiophen-2-ylborane?
The canonical SMILES for methyl-quinolin-8-yloxy-thiophen-2-ylborane is CB(Oc1cccc2cccnc12)c1cccs1.
What is the InChIKey of methyl-quinolin-8-yloxy-thiophen-2-ylborane?
The InChIKey is APOUKBHIUWBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BNOS/c1-15(13-8-4-10-18-13)17-12-7-2-5-11-6-3-9-16-14(11)12/h2-10H,1H3.
What are the key properties of methyl-quinolin-8-yloxy-thiophen-2-ylborane?
methyl-quinolin-8-yloxy-thiophen-2-ylborane has a molecular weight of 253.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-quinolin-8-yloxy-thiophen-2-ylborane is sourced from PubChem (CID 10377554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).