4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile

C16H19N3O — CID 61103055

IUPAC4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
SMILESCCN(CC)CCOc1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-19(4-2)9-10-20-16-13(11-17)12-18-15-8-6-5-7-14(15)16/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyFGIRPVUQBAIQQX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds6

About 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile

4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile (PubChem CID 61103055) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
PubChem CID61103055
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
SMILESCCN(CC)CCOc1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-19(4-2)9-10-20-16-13(11-17)12-18-15-8-6-5-7-14(15)16/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyFGIRPVUQBAIQQX-UHFFFAOYSA-N
XLogP2.83
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
CID 106447581
4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
CID 61103455
4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
CID 43669241
3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
CID 114287930
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
CID 63693524
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
CID 79665670
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
CID 116801257

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile (CID 61103055) is 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile is CCN(CC)CCOc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile?
The InChIKey is FGIRPVUQBAIQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(4-2)9-10-20-16-13(11-17)12-18-15-8-6-5-7-14(15)16/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile?
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 61103055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).