2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline

C19H21N3S — CID 4574201

IUPAC2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
SMILESCc1csc(C(c2ccc3ccccc3n2)N2CCNCC2)c1
InChIInChI=1S/C19H21N3S/c1-14-12-18(23-13-14)19(22-10-8-20-9-11-22)17-7-6-15-4-2-3-5-16(15)21-17/h2-7,12-13,19-20H,8-11H2,1H3
InChIKeyNFIMBMQGLAHYHB-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.60
Rot. Bonds3

About 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline

2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline (PubChem CID 4574201) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
PubChem CID4574201
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
SMILESCc1csc(C(c2ccc3ccccc3n2)N2CCNCC2)c1
InChIInChI=1S/C19H21N3S/c1-14-12-18(23-13-14)19(22-10-8-20-9-11-22)17-7-6-15-4-2-3-5-16(15)21-17/h2-7,12-13,19-20H,8-11H2,1H3
InChIKeyNFIMBMQGLAHYHB-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 5201718
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5112017
1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine
CID 3304093
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171284611
2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3609729
2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]quinoline
CID 3756439
2-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3398080
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
The IUPAC name of 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline (CID 4574201) is 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline.
What is the SMILES notation for 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
The canonical SMILES for 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline is Cc1csc(C(c2ccc3ccccc3n2)N2CCNCC2)c1.
What is the InChIKey of 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
The InChIKey is NFIMBMQGLAHYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-12-18(23-13-14)19(22-10-8-20-9-11-22)17-7-6-15-4-2-3-5-16(15)21-17/h2-7,12-13,19-20H,8-11H2,1H3.
What are the key properties of 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline has a molecular weight of 323.47 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline is sourced from PubChem (CID 4574201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).