5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol

C28H36N4O2 — CID 46233097

IUPAC5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
SMILESCCCN(CCN1CCN(c2ccc(O)c3ncccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C28H36N4O2/c1-2-12-31(23-7-5-21-6-8-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-9-10-27(34)28-25(26)4-3-11-29-28/h3-4,6,8-11,20,23,33-34H,2,5,7,12-19H2,1H3
InChIKeyPYPHZFKZPWVUSJ-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.04
Rot. Bonds7

About 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol

5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol (PubChem CID 46233097) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
PubChem CID46233097
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
SMILESCCCN(CCN1CCN(c2ccc(O)c3ncccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C28H36N4O2/c1-2-12-31(23-7-5-21-6-8-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-9-10-27(34)28-25(26)4-3-11-29-28/h3-4,6,8-11,20,23,33-34H,2,5,7,12-19H2,1H3
InChIKeyPYPHZFKZPWVUSJ-UHFFFAOYSA-N
XLogP4.04
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The IUPAC name of 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol (CID 46233097) is 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol.
What is the SMILES notation for 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The canonical SMILES for 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol is CCCN(CCN1CCN(c2ccc(O)c3ncccc23)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The InChIKey is PYPHZFKZPWVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-2-12-31(23-7-5-21-6-8-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-9-10-27(34)28-25(26)4-3-11-29-28/h3-4,6,8-11,20,23,33-34H,2,5,7,12-19H2,1H3.
What are the key properties of 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol has a molecular weight of 460.62 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol is sourced from PubChem (CID 46233097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).