8-chloro-3-methyl-2-piperazin-1-ylquinoline

C14H16ClN3 — CID 84638749

IUPAC8-chloro-3-methyl-2-piperazin-1-ylquinoline
SMILESCc1cc2cccc(Cl)c2nc1N1CCNCC1
InChIInChI=1S/C14H16ClN3/c1-10-9-11-3-2-4-12(15)13(11)17-14(10)18-7-5-16-6-8-18/h2-4,9,16H,5-8H2,1H3
InChIKeyPCYNLTVPTAZKNZ-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.61
Rot. Bonds1

About 8-chloro-3-methyl-2-piperazin-1-ylquinoline

8-chloro-3-methyl-2-piperazin-1-ylquinoline (PubChem CID 84638749) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 8-chloro-3-methyl-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name8-chloro-3-methyl-2-piperazin-1-ylquinoline
PubChem CID84638749
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name8-chloro-3-methyl-2-piperazin-1-ylquinoline
SMILESCc1cc2cccc(Cl)c2nc1N1CCNCC1
InChIInChI=1S/C14H16ClN3/c1-10-9-11-3-2-4-12(15)13(11)17-14(10)18-7-5-16-6-8-18/h2-4,9,16H,5-8H2,1H3
InChIKeyPCYNLTVPTAZKNZ-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121236555
8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983112
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one
CID 66580191
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236924
7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
CID 82279937

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-2-piperazin-1-ylquinoline?
The IUPAC name of 8-chloro-3-methyl-2-piperazin-1-ylquinoline (CID 84638749) is 8-chloro-3-methyl-2-piperazin-1-ylquinoline.
What is the SMILES notation for 8-chloro-3-methyl-2-piperazin-1-ylquinoline?
The canonical SMILES for 8-chloro-3-methyl-2-piperazin-1-ylquinoline is Cc1cc2cccc(Cl)c2nc1N1CCNCC1.
What is the InChIKey of 8-chloro-3-methyl-2-piperazin-1-ylquinoline?
The InChIKey is PCYNLTVPTAZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-9-11-3-2-4-12(15)13(11)17-14(10)18-7-5-16-6-8-18/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 8-chloro-3-methyl-2-piperazin-1-ylquinoline?
8-chloro-3-methyl-2-piperazin-1-ylquinoline has a molecular weight of 261.76 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-2-piperazin-1-ylquinoline is sourced from PubChem (CID 84638749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).