6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline

C23H21Cl2N3O — CID 11464461

IUPAC6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
SMILESClc1cc(N2CCN(CCc3coc4cc(Cl)ccc34)CC2)c2ncccc2c1
InChIInChI=1S/C23H21Cl2N3O/c24-18-3-4-20-17(15-29-22(20)14-18)5-7-27-8-10-28(11-9-27)21-13-19(25)12-16-2-1-6-26-23(16)21/h1-4,6,12-15H,5,7-11H2
InChIKeyVEUBKBXYCFMXCZ-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.65
Rot. Bonds4

About 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline

6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline (PubChem CID 11464461) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
PubChem CID11464461
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
SMILESClc1cc(N2CCN(CCc3coc4cc(Cl)ccc34)CC2)c2ncccc2c1
InChIInChI=1S/C23H21Cl2N3O/c24-18-3-4-20-17(15-29-22(20)14-18)5-7-27-8-10-28(11-9-27)21-13-19(25)12-16-2-1-6-26-23(16)21/h1-4,6,12-15H,5,7-11H2
InChIKeyVEUBKBXYCFMXCZ-UHFFFAOYSA-N
XLogP5.65
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
CID 11270142
7-[4-[(2,4-dichlorophenyl)methyl]piperidin-1-yl]quinolin-8-ol
CID 67275765
7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
CID 123684098
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
(6-chloroquinolin-8-yl)methanamine
CID 82505038
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025679
6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline
CID 68697717
1-(2-chloro-3-pyridinyl)-4-propylpiperazine
CID 174659885
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120782193

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The IUPAC name of 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline (CID 11464461) is 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The canonical SMILES for 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline is Clc1cc(N2CCN(CCc3coc4cc(Cl)ccc34)CC2)c2ncccc2c1.
What is the InChIKey of 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The InChIKey is VEUBKBXYCFMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-18-3-4-20-17(15-29-22(20)14-18)5-7-27-8-10-28(11-9-27)21-13-19(25)12-16-2-1-6-26-23(16)21/h1-4,6,12-15H,5,7-11H2.
What are the key properties of 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline has a molecular weight of 426.35 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 11464461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).