6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline

C27H27Cl2N5 — CID 68697717

IUPAC6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline
SMILESClc1cc(N2CCN(N3CCC(Cl)CC3c3cccc4cccnc34)CC2)c2ncccc2c1
InChIInChI=1S/C27H27Cl2N5/c28-21-8-11-34(24(17-21)23-7-1-4-19-5-2-9-30-26(19)23)33-14-12-32(13-15-33)25-18-22(29)16-20-6-3-10-31-27(20)25/h1-7,9-10,16,18,21,24H,8,11-15,17H2
InChIKeyLCXKHFJHLFISJO-UHFFFAOYSA-N
MW492.45 g/mol
LogP5.92
Rot. Bonds3

About 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline

6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline (PubChem CID 68697717) has the molecular formula C27H27Cl2N5 and a molecular weight of 492.45 g/mol. Its IUPAC name is 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline
PubChem CID68697717
Molecular FormulaC27H27Cl2N5
Molecular Weight492.45 g/mol
Exact Mass491.16
IUPAC Name6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline
SMILESClc1cc(N2CCN(N3CCC(Cl)CC3c3cccc4cccnc34)CC2)c2ncccc2c1
InChIInChI=1S/C27H27Cl2N5/c28-21-8-11-34(24(17-21)23-7-1-4-19-5-2-9-30-26(19)23)33-14-12-32(13-15-33)25-18-22(29)16-20-6-3-10-31-27(20)25/h1-7,9-10,16,18,21,24H,8,11-15,17H2
InChIKeyLCXKHFJHLFISJO-UHFFFAOYSA-N
XLogP5.92
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

8-(1-hydroxypiperidin-2-yl)quinoline
CID 54346062
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
8-cyclopropylquinoline
CID 66823369
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
8-(2-chlorocycloheptyl)quinoline
CID 81223913
6-chloro-8-[4-[2-(6-chloro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
CID 11464461
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
8-[4-(1-fluoro-2-quinolin-8-ylpiperidin-4-yl)piperazin-1-yl]-2-methoxyquinoline
CID 87655074
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
6-chloro-8-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
CID 11270142

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline?
The IUPAC name of 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline (CID 68697717) is 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline is Clc1cc(N2CCN(N3CCC(Cl)CC3c3cccc4cccnc34)CC2)c2ncccc2c1.
What is the InChIKey of 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline?
The InChIKey is LCXKHFJHLFISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5/c28-21-8-11-34(24(17-21)23-7-1-4-19-5-2-9-30-26(19)23)33-14-12-32(13-15-33)25-18-22(29)16-20-6-3-10-31-27(20)25/h1-7,9-10,16,18,21,24H,8,11-15,17H2.
What are the key properties of 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline?
6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline has a molecular weight of 492.45 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[4-(4-chloro-2-quinolin-8-ylpiperidin-1-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 68697717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).