4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C20H18ClN5S — CID 78898359

IUPAC4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESClc1ccc2cccnc2c1CN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C20H18ClN5S/c21-17-4-3-14-2-1-6-22-18(14)16(17)12-25-7-9-26(10-8-25)19-15-5-11-27-20(15)24-13-23-19/h1-6,11,13H,7-10,12H2
InChIKeyXJQBHVLZFQSRER-UHFFFAOYSA-N
MW395.92 g/mol
LogP4.22
Rot. Bonds3

About 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 78898359) has the molecular formula C20H18ClN5S and a molecular weight of 395.92 g/mol. Its IUPAC name is 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID78898359
Molecular FormulaC20H18ClN5S
Molecular Weight395.92 g/mol
Exact Mass395.10
IUPAC Name4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESClc1ccc2cccnc2c1CN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C20H18ClN5S/c21-17-4-3-14-2-1-6-22-18(14)16(17)12-25-7-9-26(10-8-25)19-15-5-11-27-20(15)24-13-23-19/h1-6,11,13H,7-10,12H2
InChIKeyXJQBHVLZFQSRER-UHFFFAOYSA-N
XLogP4.22
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzonitrile
CID 9109446
7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
2-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55831932
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134
3-butyl-5-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 78848866
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 78898359) is 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Clc1ccc2cccnc2c1CN1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is XJQBHVLZFQSRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5S/c21-17-4-3-14-2-1-6-22-18(14)16(17)12-25-7-9-26(10-8-25)19-15-5-11-27-20(15)24-13-23-19/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 395.92 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 78898359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).