2-piperazin-1-yl-8-thiophen-2-ylquinoline

C17H17N3S — CID 24733400

IUPAC2-piperazin-1-yl-8-thiophen-2-ylquinoline
SMILESc1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1
InChIInChI=1S/C17H17N3S/c1-3-13-6-7-16(20-10-8-18-9-11-20)19-17(13)14(4-1)15-5-2-12-21-15/h1-7,12,18H,8-11H2
InChIKeySLYWAVTYQHNNRI-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.37
Rot. Bonds2

About 2-piperazin-1-yl-8-thiophen-2-ylquinoline

2-piperazin-1-yl-8-thiophen-2-ylquinoline (PubChem CID 24733400) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-piperazin-1-yl-8-thiophen-2-ylquinoline.

Molecular Properties

Compound Name2-piperazin-1-yl-8-thiophen-2-ylquinoline
PubChem CID24733400
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-piperazin-1-yl-8-thiophen-2-ylquinoline
SMILESc1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1
InChIInChI=1S/C17H17N3S/c1-3-13-6-7-16(20-10-8-18-9-11-20)19-17(13)14(4-1)15-5-2-12-21-15/h1-7,12,18H,8-11H2
InChIKeySLYWAVTYQHNNRI-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235425
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
N-tert-butyl-6-(thiophen-3-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330918
6-(Thiophen-3-Yl)quinolin-2-Amine
CID 53346492
1,4-Dihydro-5-(4-methyl-1-piperazinyl)-2H-thiopyrano[3,4-c]quinoline
CID 44304232
3-(2-Thienyl)-2-quinolinamine
CID 1480775
N-(2-quinolinyl)-N'-(2-thienyl)urea
CID 2812961
1,2-Ethanediamine, N,N-dimethyl-N'-(2-(2-thienyl)-4-quinolinyl)-
CID 453074
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-8-thiophen-2-ylquinoline?
The IUPAC name of 2-piperazin-1-yl-8-thiophen-2-ylquinoline (CID 24733400) is 2-piperazin-1-yl-8-thiophen-2-ylquinoline.
What is the SMILES notation for 2-piperazin-1-yl-8-thiophen-2-ylquinoline?
The canonical SMILES for 2-piperazin-1-yl-8-thiophen-2-ylquinoline is c1csc(-c2cccc3ccc(N4CCNCC4)nc23)c1.
What is the InChIKey of 2-piperazin-1-yl-8-thiophen-2-ylquinoline?
The InChIKey is SLYWAVTYQHNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-13-6-7-16(20-10-8-18-9-11-20)19-17(13)14(4-1)15-5-2-12-21-15/h1-7,12,18H,8-11H2.
What are the key properties of 2-piperazin-1-yl-8-thiophen-2-ylquinoline?
2-piperazin-1-yl-8-thiophen-2-ylquinoline has a molecular weight of 295.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-8-thiophen-2-ylquinoline is sourced from PubChem (CID 24733400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).