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

C29H38N4O2 — CID 45140182

IUPAC5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESCCCN(CCN1CCN(Cc2ccc(O)c3ncccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C29H38N4O2/c1-2-12-33(25-8-5-22-6-9-26(34)20-24(22)19-25)18-17-31-13-15-32(16-14-31)21-23-7-10-28(35)29-27(23)4-3-11-30-29/h3-4,6-7,9-11,20,25,34-35H,2,5,8,12-19,21H2,1H3
InChIKeyPRMAEUFTLALEAX-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.03
Rot. Bonds8

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

5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 45140182) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID45140182
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESCCCN(CCN1CCN(Cc2ccc(O)c3ncccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C29H38N4O2/c1-2-12-33(25-8-5-22-6-9-26(34)20-24(22)19-25)18-17-31-13-15-32(16-14-31)21-23-7-10-28(35)29-27(23)4-3-11-30-29/h3-4,6-7,9-11,20,25,34-35H,2,5,8,12-19,21H2,1H3
InChIKeyPRMAEUFTLALEAX-UHFFFAOYSA-N
XLogP4.03
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.03
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]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol (CID 45140182) is 5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]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]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol is CCCN(CCN1CCN(Cc2ccc(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]methyl]quinolin-8-ol?
The InChIKey is PRMAEUFTLALEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-2-12-33(25-8-5-22-6-9-26(34)20-24(22)19-25)18-17-31-13-15-32(16-14-31)21-23-7-10-28(35)29-27(23)4-3-11-30-29/h3-4,6-7,9-11,20,25,34-35H,2,5,8,12-19,21H2,1H3.
What are the key properties of 5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol?
5-[[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 474.65 g/mol, XLogP of 4.03, 8 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]methyl]quinolin-8-ol is sourced from PubChem (CID 45140182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).