3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline

C14H15Cl2N3 — CID 121236125

IUPAC3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(Cl)cc2c(N3CCNCC3)c(Cl)cnc12
InChIInChI=1S/C14H15Cl2N3/c1-9-6-10(15)7-11-13(9)18-8-12(16)14(11)19-4-2-17-3-5-19/h6-8,17H,2-5H2,1H3
InChIKeyITHLBJDFKQHZIF-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.26
Rot. Bonds1

About 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline

3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline (PubChem CID 121236125) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
PubChem CID121236125
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(Cl)cc2c(N3CCNCC3)c(Cl)cnc12
InChIInChI=1S/C14H15Cl2N3/c1-9-6-10(15)7-11-13(9)18-8-12(16)14(11)19-4-2-17-3-5-19/h6-8,17H,2-5H2,1H3
InChIKeyITHLBJDFKQHZIF-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline (CID 121236125) is 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline is Cc1cc(Cl)cc2c(N3CCNCC3)c(Cl)cnc12.
What is the InChIKey of 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline?
The InChIKey is ITHLBJDFKQHZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-9-6-10(15)7-11-13(9)18-8-12(16)14(11)19-4-2-17-3-5-19/h6-8,17H,2-5H2,1H3.
What are the key properties of 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline?
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline has a molecular weight of 296.20 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).