(6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C28H36N4O — CID 46180160

IUPAC(6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C28H36N4O/c1-2-14-31(23-10-11-24-22(21-23)6-5-9-28(24)33)18-15-30-16-19-32(20-17-30)27-12-13-29-26-8-4-3-7-25(26)27/h3-9,12-13,23,33H,2,10-11,14-21H2,1H3/t23-/m0/s1
InChIKeyMDTYNDPHGHTQTJ-QHCPKHFHSA-N
MW444.62 g/mol
LogP4.33
Rot. Bonds7

About (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol

(6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 46180160) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID46180160
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name(6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C28H36N4O/c1-2-14-31(23-10-11-24-22(21-23)6-5-9-28(24)33)18-15-30-16-19-32(20-17-30)27-12-13-29-26-8-4-3-7-25(26)27/h3-9,12-13,23,33H,2,10-11,14-21H2,1H3/t23-/m0/s1
InChIKeyMDTYNDPHGHTQTJ-QHCPKHFHSA-N
XLogP4.33
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 46180160) is (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is MDTYNDPHGHTQTJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H36N4O/c1-2-14-31(23-10-11-24-22(21-23)6-5-9-28(24)33)18-15-30-16-19-32(20-17-30)27-12-13-29-26-8-4-3-7-25(26)27/h3-9,12-13,23,33H,2,10-11,14-21H2,1H3/t23-/m0/s1.
What are the key properties of (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 444.62 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[propyl-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 46180160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).