7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C20H18N4OS — CID 24747069

IUPAC7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)nc2c1
InChIInChI=1S/C20H18N4OS/c1-14-4-5-15-12-16(13-21)19(22-17(15)11-14)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3
InChIKeyURQVSQPDQUGTRW-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.44
Rot. Bonds2

About 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 24747069) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID24747069
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)nc2c1
InChIInChI=1S/C20H18N4OS/c1-14-4-5-15-12-16(13-21)19(22-17(15)11-14)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3
InChIKeyURQVSQPDQUGTRW-UHFFFAOYSA-N
XLogP3.44
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 24747069) is 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is Cc1ccc2cc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)nc2c1.
What is the InChIKey of 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is URQVSQPDQUGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14-4-5-15-12-16(13-21)19(22-17(15)11-14)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 362.46 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 24747069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).