[9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine

C26H35ClN4 — CID 145292610

IUPAC[9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine
SMILESC=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(CN)CC4)CC1
InChIInChI=1S/C26H35ClN4/c1-4-5-6-18(2)30-11-13-31(14-12-30)19(3)21-8-10-23-25(16-21)29-24-15-20(17-28)7-9-22(24)26(23)27/h8,10,16,20H,2-7,9,11-15,17,28H2,1H3
InChIKeyHZCPBHUBMQSWGE-UHFFFAOYSA-N
MW439.05 g/mol
LogP5.24
Rot. Bonds7

About [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine

[9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine (PubChem CID 145292610) has the molecular formula C26H35ClN4 and a molecular weight of 439.05 g/mol. Its IUPAC name is [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine.

Molecular Properties

Compound Name[9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine
PubChem CID145292610
Molecular FormulaC26H35ClN4
Molecular Weight439.05 g/mol
Exact Mass438.26
IUPAC Name[9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine
SMILESC=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(CN)CC4)CC1
InChIInChI=1S/C26H35ClN4/c1-4-5-6-18(2)30-11-13-31(14-12-30)19(3)21-8-10-23-25(16-21)29-24-15-20(17-28)7-9-22(24)26(23)27/h8,10,16,20H,2-7,9,11-15,17,28H2,1H3
InChIKeyHZCPBHUBMQSWGE-UHFFFAOYSA-N
XLogP5.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.05
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine?
The IUPAC name of [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine (CID 145292610) is [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine.
What is the SMILES notation for [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine?
The canonical SMILES for [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine is C=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(CN)CC4)CC1.
What is the InChIKey of [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine?
The InChIKey is HZCPBHUBMQSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4/c1-4-5-6-18(2)30-11-13-31(14-12-30)19(3)21-8-10-23-25(16-21)29-24-15-20(17-28)7-9-22(24)26(23)27/h8,10,16,20H,2-7,9,11-15,17,28H2,1H3.
What are the key properties of [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine?
[9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine has a molecular weight of 439.05 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-chloro-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]methanamine is sourced from PubChem (CID 145292610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).