3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline

C15H18ClN3 — CID 121236468

IUPAC3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
SMILESCc1cc2ncc(Cl)c(N3CCNCC3)c2cc1C
InChIInChI=1S/C15H18ClN3/c1-10-7-12-14(8-11(10)2)18-9-13(16)15(12)19-5-3-17-4-6-19/h7-9,17H,3-6H2,1-2H3
InChIKeyXLMGNYZHJITCHL-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.91
Rot. Bonds1

About 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline

3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline (PubChem CID 121236468) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
PubChem CID121236468
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
SMILESCc1cc2ncc(Cl)c(N3CCNCC3)c2cc1C
InChIInChI=1S/C15H18ClN3/c1-10-7-12-14(8-11(10)2)18-9-13(16)15(12)19-5-3-17-4-6-19/h7-9,17H,3-6H2,1-2H3
InChIKeyXLMGNYZHJITCHL-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
CID 121237126
3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236465
5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
CID 68761356
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine
CID 173121058
3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
CID 121236378
3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236366
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
CID 69237633
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline?
The IUPAC name of 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline (CID 121236468) is 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline is Cc1cc2ncc(Cl)c(N3CCNCC3)c2cc1C.
What is the InChIKey of 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline?
The InChIKey is XLMGNYZHJITCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-7-12-14(8-11(10)2)18-9-13(16)15(12)19-5-3-17-4-6-19/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline?
3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline has a molecular weight of 275.78 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).