2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline

C19H21N3S — CID 5201718

IUPAC2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
SMILESCc1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)s1
InChIInChI=1S/C19H21N3S/c1-14-6-9-18(23-14)19(22-12-10-20-11-13-22)17-8-7-15-4-2-3-5-16(15)21-17/h2-9,19-20H,10-13H2,1H3
InChIKeyNAAWQCYRVOOBBY-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.60
Rot. Bonds3

About 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline

2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline (PubChem CID 5201718) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
PubChem CID5201718
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
SMILESCc1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)s1
InChIInChI=1S/C19H21N3S/c1-14-6-9-18(23-14)19(22-12-10-20-11-13-22)17-8-7-15-4-2-3-5-16(15)21-17/h2-9,19-20H,10-13H2,1H3
InChIKeyNAAWQCYRVOOBBY-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

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Related Compounds

2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 4574201
3-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 3978003
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3765993
1-[(5-methylthiophen-2-yl)-quinolin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3999154
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
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-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]quinoline
CID 3756439
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
2-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3398080

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
The IUPAC name of 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline (CID 5201718) is 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline is Cc1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
The InChIKey is NAAWQCYRVOOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-6-9-18(23-14)19(22-12-10-20-11-13-22)17-8-7-15-4-2-3-5-16(15)21-17/h2-9,19-20H,10-13H2,1H3.
What are the key properties of 2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline?
2-[(5-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-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline is sourced from PubChem (CID 5201718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).