2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile

C18H22N4 — CID 1454286

IUPAC2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile
SMILESCCN1CCN(c2nc3c(C)c(C)ccc3cc2C#N)CC1
InChIInChI=1S/C18H22N4/c1-4-21-7-9-22(10-8-21)18-16(12-19)11-15-6-5-13(2)14(3)17(15)20-18/h5-6,11H,4,7-10H2,1-3H3
InChIKeyCATUPRUXZWKJMO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.87
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile

2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile (PubChem CID 1454286) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile
PubChem CID1454286
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile
SMILESCCN1CCN(c2nc3c(C)c(C)ccc3cc2C#N)CC1
InChIInChI=1S/C18H22N4/c1-4-21-7-9-22(10-8-21)18-16(12-19)11-15-6-5-13(2)14(3)17(15)20-18/h5-6,11H,4,7-10H2,1-3H3
InChIKeyCATUPRUXZWKJMO-UHFFFAOYSA-N
XLogP2.87
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile (CID 1454286) is 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile is CCN1CCN(c2nc3c(C)c(C)ccc3cc2C#N)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile?
The InChIKey is CATUPRUXZWKJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-4-21-7-9-22(10-8-21)18-16(12-19)11-15-6-5-13(2)14(3)17(15)20-18/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile?
2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-7,8-dimethylquinoline-3-carbonitrile is sourced from PubChem (CID 1454286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).