4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline

C24H20Cl2N4 — CID 73356423

IUPAC4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
SMILESClc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1Cl
InChIInChI=1S/C24H20Cl2N4/c25-19-9-8-17(15-20(19)26)29-11-13-30(14-12-29)24-16-23(22-7-3-4-10-27-22)28-21-6-2-1-5-18(21)24/h1-10,15-16H,11-14H2
InChIKeyBDYKVWRVXQLRPX-UHFFFAOYSA-N
MW435.36 g/mol
LogP5.93
Rot. Bonds3

About 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline

4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline (PubChem CID 73356423) has the molecular formula C24H20Cl2N4 and a molecular weight of 435.36 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
PubChem CID73356423
Molecular FormulaC24H20Cl2N4
Molecular Weight435.36 g/mol
Exact Mass434.11
IUPAC Name4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
SMILESClc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1Cl
InChIInChI=1S/C24H20Cl2N4/c25-19-9-8-17(15-20(19)26)29-11-13-30(14-12-29)24-16-23(22-7-3-4-10-27-22)28-21-6-2-1-5-18(21)24/h1-10,15-16H,11-14H2
InChIKeyBDYKVWRVXQLRPX-UHFFFAOYSA-N
XLogP5.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline (CID 73356423) is 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline is Clc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1Cl.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
The InChIKey is BDYKVWRVXQLRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4/c25-19-9-8-17(15-20(19)26)29-11-13-30(14-12-29)24-16-23(22-7-3-4-10-27-22)28-21-6-2-1-5-18(21)24/h1-10,15-16H,11-14H2.
What are the key properties of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline has a molecular weight of 435.36 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 73356423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).