2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one

C21H24ClN3O — CID 11846393

IUPAC2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one
SMILESCN1CCN(CCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClN3O/c1-23-11-13-24(14-12-23)9-4-10-25-19-6-3-2-5-17(19)21(26)18-15-16(22)7-8-20(18)25/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyCYGHFFSWFUGELT-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one

2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one (PubChem CID 11846393) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one
PubChem CID11846393
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one
SMILESCN1CCN(CCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClN3O/c1-23-11-13-24(14-12-23)9-4-10-25-19-6-3-2-5-17(19)21(26)18-15-16(22)7-8-20(18)25/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyCYGHFFSWFUGELT-UHFFFAOYSA-N
XLogP3.45
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one?
The IUPAC name of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one (CID 11846393) is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one.
What is the SMILES notation for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one?
The canonical SMILES for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one is CN1CCN(CCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one?
The InChIKey is CYGHFFSWFUGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-23-11-13-24(14-12-23)9-4-10-25-19-6-3-2-5-17(19)21(26)18-15-16(22)7-8-20(18)25/h2-3,5-8,15H,4,9-14H2,1H3.
What are the key properties of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one?
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one has a molecular weight of 369.90 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one is sourced from PubChem (CID 11846393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).