9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine

C30H34ClFN4 — CID 129029178

IUPAC9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine
SMILESC=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(c2ncccc2F)CC4)CC1
InChIInChI=1S/C30H34ClFN4/c1-4-5-7-20(2)35-14-16-36(17-15-35)21(3)22-9-11-24-27(18-22)34-28-19-23(10-12-25(28)29(24)31)30-26(32)8-6-13-33-30/h6,8-9,11,13,18,23H,2-5,7,10,12,14-17,19H2,1H3
InChIKeyQOUQTVPXEJPEQJ-UHFFFAOYSA-N
MW505.08 g/mol
LogP6.99
Rot. Bonds7

About 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine

9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine (PubChem CID 129029178) has the molecular formula C30H34ClFN4 and a molecular weight of 505.08 g/mol. Its IUPAC name is 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine
PubChem CID129029178
Molecular FormulaC30H34ClFN4
Molecular Weight505.08 g/mol
Exact Mass504.25
IUPAC Name9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine
SMILESC=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(c2ncccc2F)CC4)CC1
InChIInChI=1S/C30H34ClFN4/c1-4-5-7-20(2)35-14-16-36(17-15-35)21(3)22-9-11-24-27(18-22)34-28-19-23(10-12-25(28)29(24)31)30-26(32)8-6-13-33-30/h6,8-9,11,13,18,23H,2-5,7,10,12,14-17,19H2,1H3
InChIKeyQOUQTVPXEJPEQJ-UHFFFAOYSA-N
XLogP6.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.08
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine (CID 129029178) is 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine is C=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(c2ncccc2F)CC4)CC1.
What is the InChIKey of 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine?
The InChIKey is QOUQTVPXEJPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClFN4/c1-4-5-7-20(2)35-14-16-36(17-15-35)21(3)22-9-11-24-27(18-22)34-28-19-23(10-12-25(28)29(24)31)30-26(32)8-6-13-33-30/h6,8-9,11,13,18,23H,2-5,7,10,12,14-17,19H2,1H3.
What are the key properties of 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine?
9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine has a molecular weight of 505.08 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-(3-fluoro-2-pyridinyl)-6-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 129029178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).