6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline

C25H26ClN3S — CID 155549397

IUPAC6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
SMILESClC1=C(CN2CCN(Cc3ccccc3)CC2)CCc2nc(-c3cccs3)ccc21
InChIInChI=1S/C25H26ClN3S/c26-25-20(8-10-22-21(25)9-11-23(27-22)24-7-4-16-30-24)18-29-14-12-28(13-15-29)17-19-5-2-1-3-6-19/h1-7,9,11,16H,8,10,12-15,17-18H2
InChIKeyDPHFNLLVCVPOIU-UHFFFAOYSA-N
MW436.02 g/mol
LogP5.52
Rot. Bonds5

About 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline

6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline (PubChem CID 155549397) has the molecular formula C25H26ClN3S and a molecular weight of 436.02 g/mol. Its IUPAC name is 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline.

Molecular Properties

Compound Name6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
PubChem CID155549397
Molecular FormulaC25H26ClN3S
Molecular Weight436.02 g/mol
Exact Mass435.15
IUPAC Name6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
SMILESClC1=C(CN2CCN(Cc3ccccc3)CC2)CCc2nc(-c3cccs3)ccc21
InChIInChI=1S/C25H26ClN3S/c26-25-20(8-10-22-21(25)9-11-23(27-22)24-7-4-16-30-24)18-29-14-12-28(13-15-29)17-19-5-2-1-3-6-19/h1-7,9,11,16H,8,10,12-15,17-18H2
InChIKeyDPHFNLLVCVPOIU-UHFFFAOYSA-N
XLogP5.52
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.02
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(5-chloro-2-thiophen-2-yl-7,8-dihydroquinolin-6-yl)methyl]piperazine-1-carboxylate
CID 155515167
6-(1-benzyltriazol-4-yl)-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155565038
5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline
CID 155567397
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
CID 155514521
2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2824517
1-(4-benzylpiperazin-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 1152375
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline?
The IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline (CID 155549397) is 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline.
What is the SMILES notation for 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline?
The canonical SMILES for 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline is ClC1=C(CN2CCN(Cc3ccccc3)CC2)CCc2nc(-c3cccs3)ccc21.
What is the InChIKey of 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline?
The InChIKey is DPHFNLLVCVPOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3S/c26-25-20(8-10-22-21(25)9-11-23(27-22)24-7-4-16-30-24)18-29-14-12-28(13-15-29)17-19-5-2-1-3-6-19/h1-7,9,11,16H,8,10,12-15,17-18H2.
What are the key properties of 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline?
6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline has a molecular weight of 436.02 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline is sourced from PubChem (CID 155549397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).