5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol

C18H25N3O2 — CID 71678902

IUPAC5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
SMILESOCCN1CCN(CCCc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C18H25N3O2/c22-14-13-21-11-9-20(10-12-21)8-2-3-15-5-6-17(23)18-16(15)4-1-7-19-18/h1,4-7,22-23H,2-3,8-14H2
InChIKeyLVWXJOGVHHXTAB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.48
Rot. Bonds6

About 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol

5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol (PubChem CID 71678902) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
PubChem CID71678902
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
SMILESOCCN1CCN(CCCc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C18H25N3O2/c22-14-13-21-11-9-20(10-12-21)8-2-3-15-5-6-17(23)18-16(15)4-1-7-19-18/h1,4-7,22-23H,2-3,8-14H2
InChIKeyLVWXJOGVHHXTAB-UHFFFAOYSA-N
XLogP1.48
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-undecylquinolin-8-ol
CID 10780517
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
CID 87133859
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
4-[4-(8-nitroquinolin-5-yl)butyl]morpholine
CID 153252525
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 71515448

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol?
The IUPAC name of 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol (CID 71678902) is 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol.
What is the SMILES notation for 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol?
The canonical SMILES for 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol is OCCN1CCN(CCCc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol?
The InChIKey is LVWXJOGVHHXTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-14-13-21-11-9-20(10-12-21)8-2-3-15-5-6-17(23)18-16(15)4-1-7-19-18/h1,4-7,22-23H,2-3,8-14H2.
What are the key properties of 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol?
5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol has a molecular weight of 315.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol is sourced from PubChem (CID 71678902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).