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

C13H13Cl2N3 — CID 121236121

IUPAC3,6-dichloro-4-piperazin-1-ylquinoline
SMILESClc1ccc2ncc(Cl)c(N3CCNCC3)c2c1
InChIInChI=1S/C13H13Cl2N3/c14-9-1-2-12-10(7-9)13(11(15)8-17-12)18-5-3-16-4-6-18/h1-2,7-8,16H,3-6H2
InChIKeyYDGNDKGRCZFHNO-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.95
Rot. Bonds1

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

3,6-dichloro-4-piperazin-1-ylquinoline (PubChem CID 121236121) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3,6-dichloro-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3,6-dichloro-4-piperazin-1-ylquinoline
PubChem CID121236121
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3,6-dichloro-4-piperazin-1-ylquinoline
SMILESClc1ccc2ncc(Cl)c(N3CCNCC3)c2c1
InChIInChI=1S/C13H13Cl2N3/c14-9-1-2-12-10(7-9)13(11(15)8-17-12)18-5-3-16-4-6-18/h1-2,7-8,16H,3-6H2
InChIKeyYDGNDKGRCZFHNO-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
CID 121236468
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
CID 121237126
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
CID 68761356
7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine
CID 173121058
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
CID 67775458
3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236465
7-chloro-3-piperazin-1-ylisoquinoline
CID 13025580
2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
CID 68900992
5-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314805

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-piperazin-1-ylquinoline?
The IUPAC name of 3,6-dichloro-4-piperazin-1-ylquinoline (CID 121236121) is 3,6-dichloro-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3,6-dichloro-4-piperazin-1-ylquinoline?
The canonical SMILES for 3,6-dichloro-4-piperazin-1-ylquinoline is Clc1ccc2ncc(Cl)c(N3CCNCC3)c2c1.
What is the InChIKey of 3,6-dichloro-4-piperazin-1-ylquinoline?
The InChIKey is YDGNDKGRCZFHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c14-9-1-2-12-10(7-9)13(11(15)8-17-12)18-5-3-16-4-6-18/h1-2,7-8,16H,3-6H2.
What are the key properties of 3,6-dichloro-4-piperazin-1-ylquinoline?
3,6-dichloro-4-piperazin-1-ylquinoline has a molecular weight of 282.17 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).