8-(diethylamino)quinoline-3-carbonitrile

C14H15N3 — CID 105483149

IUPAC8-(diethylamino)quinoline-3-carbonitrile
SMILESCCN(CC)c1cccc2cc(C#N)cnc12
InChIInChI=1S/C14H15N3/c1-3-17(4-2)13-7-5-6-12-8-11(9-15)10-16-14(12)13/h5-8,10H,3-4H2,1-2H3
InChIKeyAFWQRTUAQKGCKH-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.95
Rot. Bonds3

About 8-(diethylamino)quinoline-3-carbonitrile

8-(diethylamino)quinoline-3-carbonitrile (PubChem CID 105483149) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 8-(diethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-(diethylamino)quinoline-3-carbonitrile
PubChem CID105483149
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name8-(diethylamino)quinoline-3-carbonitrile
SMILESCCN(CC)c1cccc2cc(C#N)cnc12
InChIInChI=1S/C14H15N3/c1-3-17(4-2)13-7-5-6-12-8-11(9-15)10-16-14(12)13/h5-8,10H,3-4H2,1-2H3
InChIKeyAFWQRTUAQKGCKH-UHFFFAOYSA-N
XLogP2.95
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-(diethylamino)quinoline-3-carbonitrile (CID 105483149) is 8-(diethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-(diethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-(diethylamino)quinoline-3-carbonitrile is CCN(CC)c1cccc2cc(C#N)cnc12.
What is the InChIKey of 8-(diethylamino)quinoline-3-carbonitrile?
The InChIKey is AFWQRTUAQKGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-17(4-2)13-7-5-6-12-8-11(9-15)10-16-14(12)13/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 8-(diethylamino)quinoline-3-carbonitrile?
8-(diethylamino)quinoline-3-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 105483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).