7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride

C18H25Cl2N3 — CID 68858916

IUPAC7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
SMILESCCC(CC)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.Cl
InChIInChI=1S/C18H24ClN3.ClH/c1-3-15(4-2)21-9-11-22(12-10-21)18-7-8-20-17-13-14(19)5-6-16(17)18;/h5-8,13,15H,3-4,9-12H2,1-2H3;1H
InChIKeyZFZPJPBHAYXADN-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.62
Rot. Bonds4

About 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride

7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride (PubChem CID 68858916) has the molecular formula C18H25Cl2N3 and a molecular weight of 354.32 g/mol. Its IUPAC name is 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
PubChem CID68858916
Molecular FormulaC18H25Cl2N3
Molecular Weight354.32 g/mol
Exact Mass353.14
IUPAC Name7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
SMILESCCC(CC)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.Cl
InChIInChI=1S/C18H24ClN3.ClH/c1-3-15(4-2)21-9-11-22(12-10-21)18-7-8-20-17-13-14(19)5-6-16(17)18;/h5-8,13,15H,3-4,9-12H2,1-2H3;1H
InChIKeyZFZPJPBHAYXADN-UHFFFAOYSA-N
XLogP4.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride?
The IUPAC name of 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride (CID 68858916) is 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride.
What is the SMILES notation for 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride?
The canonical SMILES for 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride is CCC(CC)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.Cl.
What is the InChIKey of 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride?
The InChIKey is ZFZPJPBHAYXADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3.ClH/c1-3-15(4-2)21-9-11-22(12-10-21)18-7-8-20-17-13-14(19)5-6-16(17)18;/h5-8,13,15H,3-4,9-12H2,1-2H3;1H.
What are the key properties of 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride?
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride has a molecular weight of 354.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride is sourced from PubChem (CID 68858916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).