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

C22H26ClN3O — CID 11846399

IUPAC2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one
SMILESCN1CCN(CCCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C22H26ClN3O/c1-24-12-14-25(15-13-24)10-4-5-11-26-20-7-3-2-6-18(20)22(27)19-16-17(23)8-9-21(19)26/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKeyCKDICEFNYLKMNH-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.84
Rot. Bonds5

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

2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one (PubChem CID 11846399) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one
PubChem CID11846399
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one
SMILESCN1CCN(CCCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C22H26ClN3O/c1-24-12-14-25(15-13-24)10-4-5-11-26-20-7-3-2-6-18(20)22(27)19-16-17(23)8-9-21(19)26/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKeyCKDICEFNYLKMNH-UHFFFAOYSA-N
XLogP3.84
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one?
The IUPAC name of 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one (CID 11846399) is 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one.
What is the SMILES notation for 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one?
The canonical SMILES for 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one is CN1CCN(CCCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one?
The InChIKey is CKDICEFNYLKMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-24-12-14-25(15-13-24)10-4-5-11-26-20-7-3-2-6-18(20)22(27)19-16-17(23)8-9-21(19)26/h2-3,6-9,16H,4-5,10-15H2,1H3.
What are the key properties of 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one?
2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one has a molecular weight of 383.92 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one is sourced from PubChem (CID 11846399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).