4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol

C19H18ClN3O — CID 4795341

IUPAC4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C19H18ClN3O/c20-14-1-6-17-18(13-14)21-8-7-19(17)23-11-9-22(10-12-23)15-2-4-16(24)5-3-15/h1-8,13,24H,9-12H2
InChIKeyHGXUDGMVRNJQAZ-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.92
Rot. Bonds2

About 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol

4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol (PubChem CID 4795341) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol
PubChem CID4795341
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C19H18ClN3O/c20-14-1-6-17-18(13-14)21-8-7-19(17)23-11-9-22(10-12-23)15-2-4-16(24)5-3-15/h1-8,13,24H,9-12H2
InChIKeyHGXUDGMVRNJQAZ-UHFFFAOYSA-N
XLogP3.92
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amodiaquine
CID 2165
Amodiaquine Hydrochloride
CID 64646
Desethylamodiaquine
CID 122068
Amopyroquine
CID 25194
5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride
CID 6246
7-Chloro-4-(4-hydroxyanilino)quinoline
CID 224178
Gsk-369796
CID 10316203
Tebuquine
CID 71991
Npc488012
CID 16051921
Amodiaquine dihydrochloride dihydrate
CID 16218886
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol (CID 4795341) is 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol?
The InChIKey is HGXUDGMVRNJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-14-1-6-17-18(13-14)21-8-7-19(17)23-11-9-22(10-12-23)15-2-4-16(24)5-3-15/h1-8,13,24H,9-12H2.
What are the key properties of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol?
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol has a molecular weight of 339.83 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 4795341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).