1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol

C16H20ClN3O — CID 171975814

IUPAC1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN3O/c1-12(21)11-19-6-8-20(9-7-19)16-4-5-18-15-10-13(17)2-3-14(15)16/h2-5,10,12,21H,6-9,11H2,1H3
InChIKeyXIEZHUPYVMYFKO-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 171975814) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID171975814
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN3O/c1-12(21)11-19-6-8-20(9-7-19)16-4-5-18-15-10-13(17)2-3-14(15)16/h2-5,10,12,21H,6-9,11H2,1H3
InChIKeyXIEZHUPYVMYFKO-UHFFFAOYSA-N
XLogP2.39
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

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
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-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol (CID 171975814) is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is XIEZHUPYVMYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12(21)11-19-6-8-20(9-7-19)16-4-5-18-15-10-13(17)2-3-14(15)16/h2-5,10,12,21H,6-9,11H2,1H3.
What are the key properties of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 171975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).