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

C28H36N4O2 — CID 45140376

IUPAC4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
SMILESCCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
InChIKeyXNAZWCRZSGGAMO-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.04
Rot. Bonds7

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

4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol (PubChem CID 45140376) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol.

Molecular Properties

Compound Name4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
PubChem CID45140376
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
SMILESCCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
InChIKeyXNAZWCRZSGGAMO-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 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The IUPAC name of 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol (CID 45140376) is 4-[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 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The canonical SMILES for 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol is CCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
The InChIKey is XNAZWCRZSGGAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3.
What are the key properties of 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol?
4-[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 4-[4-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol is sourced from PubChem (CID 45140376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).