4-chloro-6-(diethylamino)quinoline-3-carbonitrile

C14H14ClN3 — CID 63180357

IUPAC4-chloro-6-(diethylamino)quinoline-3-carbonitrile
SMILESCCN(CC)c1ccc2ncc(C#N)c(Cl)c2c1
InChIInChI=1S/C14H14ClN3/c1-3-18(4-2)11-5-6-13-12(7-11)14(15)10(8-16)9-17-13/h5-7,9H,3-4H2,1-2H3
InChIKeyJVOGSWYYTSYKNY-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-6-(diethylamino)quinoline-3-carbonitrile

4-chloro-6-(diethylamino)quinoline-3-carbonitrile (PubChem CID 63180357) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-6-(diethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(diethylamino)quinoline-3-carbonitrile
PubChem CID63180357
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-chloro-6-(diethylamino)quinoline-3-carbonitrile
SMILESCCN(CC)c1ccc2ncc(C#N)c(Cl)c2c1
InChIInChI=1S/C14H14ClN3/c1-3-18(4-2)11-5-6-13-12(7-11)14(15)10(8-16)9-17-13/h5-7,9H,3-4H2,1-2H3
InChIKeyJVOGSWYYTSYKNY-UHFFFAOYSA-N
XLogP3.61
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(diethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-chloro-6-(diethylamino)quinoline-3-carbonitrile (CID 63180357) is 4-chloro-6-(diethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-(diethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-6-(diethylamino)quinoline-3-carbonitrile is CCN(CC)c1ccc2ncc(C#N)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-(diethylamino)quinoline-3-carbonitrile?
The InChIKey is JVOGSWYYTSYKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-3-18(4-2)11-5-6-13-12(7-11)14(15)10(8-16)9-17-13/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(diethylamino)quinoline-3-carbonitrile?
4-chloro-6-(diethylamino)quinoline-3-carbonitrile has a molecular weight of 259.74 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(diethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 63180357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).