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

C28H36N4O2 — CID 45140375

IUPAC4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
SMILESCCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3/t22-/m0/s1
InChIKeySWEZRIWMOXWKPT-QFIPXVFZSA-N
MW460.62 g/mol
LogP4.04
Rot. Bonds7

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

4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol (PubChem CID 45140375) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol.

Molecular Properties

Compound Name4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
PubChem CID45140375
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
SMILESCCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3/t22-/m0/s1
InChIKeySWEZRIWMOXWKPT-QFIPXVFZSA-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 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The IUPAC name of 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol (CID 45140375) is 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol.
What is the SMILES notation for 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The canonical SMILES for 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol is CCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The InChIKey is SWEZRIWMOXWKPT-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3/t22-/m0/s1.
What are the key properties of 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
4-[4-[2-[[(2S)-5-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 4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol is sourced from PubChem (CID 45140375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).