4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile

C28H28ClN5 — CID 145292539

IUPAC4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile
SMILESC=C(C)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(c2ccnc(C#N)c2)CC4)CC1
InChIInChI=1S/C28H28ClN5/c1-18(2)33-10-12-34(13-11-33)19(3)20-4-6-24-26(15-20)32-27-16-21(5-7-25(27)28(24)29)22-8-9-31-23(14-22)17-30/h4,6,8-9,14-15,21H,1,3,5,7,10-13,16H2,2H3
InChIKeyJUVGHOXNPRWHSL-UHFFFAOYSA-N
MW470.02 g/mol
LogP5.55
Rot. Bonds4

About 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile

4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile (PubChem CID 145292539) has the molecular formula C28H28ClN5 and a molecular weight of 470.02 g/mol. Its IUPAC name is 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile
PubChem CID145292539
Molecular FormulaC28H28ClN5
Molecular Weight470.02 g/mol
Exact Mass469.20
IUPAC Name4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile
SMILESC=C(C)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(c2ccnc(C#N)c2)CC4)CC1
InChIInChI=1S/C28H28ClN5/c1-18(2)33-10-12-34(13-11-33)19(3)20-4-6-24-26(15-20)32-27-16-21(5-7-25(27)28(24)29)22-8-9-31-23(14-22)17-30/h4,6,8-9,14-15,21H,1,3,5,7,10-13,16H2,2H3
InChIKeyJUVGHOXNPRWHSL-UHFFFAOYSA-N
XLogP5.55
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile (CID 145292539) is 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile is C=C(C)N1CCN(C(=C)c2ccc3c(Cl)c4c(nc3c2)CC(c2ccnc(C#N)c2)CC4)CC1.
What is the InChIKey of 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile?
The InChIKey is JUVGHOXNPRWHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5/c1-18(2)33-10-12-34(13-11-33)19(3)20-4-6-24-26(15-20)32-27-16-21(5-7-25(27)28(24)29)22-8-9-31-23(14-22)17-30/h4,6,8-9,14-15,21H,1,3,5,7,10-13,16H2,2H3.
What are the key properties of 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile?
4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile has a molecular weight of 470.02 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 145292539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).