3-quinolin-8-ylbenzonitrile

C16H10N2 — CID 4189045

IUPAC3-quinolin-8-ylbenzonitrile
SMILESN#Cc1cccc(-c2cccc3cccnc23)c1
InChIInChI=1S/C16H10N2/c17-11-12-4-1-6-14(10-12)15-8-2-5-13-7-3-9-18-16(13)15/h1-10H
InChIKeyCTJAOYCHMRESNS-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.77
Rot. Bonds1

About 3-quinolin-8-ylbenzonitrile

3-quinolin-8-ylbenzonitrile (PubChem CID 4189045) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-quinolin-8-ylbenzonitrile.

Molecular Properties

Compound Name3-quinolin-8-ylbenzonitrile
PubChem CID4189045
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name3-quinolin-8-ylbenzonitrile
SMILESN#Cc1cccc(-c2cccc3cccnc23)c1
InChIInChI=1S/C16H10N2/c17-11-12-4-1-6-14(10-12)15-8-2-5-13-7-3-9-18-16(13)15/h1-10H
InChIKeyCTJAOYCHMRESNS-UHFFFAOYSA-N
XLogP3.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-ylbenzonitrile?
The IUPAC name of 3-quinolin-8-ylbenzonitrile (CID 4189045) is 3-quinolin-8-ylbenzonitrile.
What is the SMILES notation for 3-quinolin-8-ylbenzonitrile?
The canonical SMILES for 3-quinolin-8-ylbenzonitrile is N#Cc1cccc(-c2cccc3cccnc23)c1.
What is the InChIKey of 3-quinolin-8-ylbenzonitrile?
The InChIKey is CTJAOYCHMRESNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-11-12-4-1-6-14(10-12)15-8-2-5-13-7-3-9-18-16(13)15/h1-10H.
What are the key properties of 3-quinolin-8-ylbenzonitrile?
3-quinolin-8-ylbenzonitrile has a molecular weight of 230.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-ylbenzonitrile is sourced from PubChem (CID 4189045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).