N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride

C24H27ClN4 — CID 44531630

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride
SMILESCN1CCN(CCNc2c3ccccc3nc3ccc4ccccc4c23)CC1.Cl
InChIInChI=1S/C24H26N4.ClH/c1-27-14-16-28(17-15-27)13-12-25-24-20-8-4-5-9-21(20)26-22-11-10-18-6-2-3-7-19(18)23(22)24;/h2-11H,12-17H2,1H3,(H,25,26);1H
InChIKeyKHGTVQIMYXMNNW-UHFFFAOYSA-N
MW406.96 g/mol
LogP4.62
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride

N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride (PubChem CID 44531630) has the molecular formula C24H27ClN4 and a molecular weight of 406.96 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride
PubChem CID44531630
Molecular FormulaC24H27ClN4
Molecular Weight406.96 g/mol
Exact Mass406.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride
SMILESCN1CCN(CCNc2c3ccccc3nc3ccc4ccccc4c23)CC1.Cl
InChIInChI=1S/C24H26N4.ClH/c1-27-14-16-28(17-15-27)13-12-25-24-20-8-4-5-9-21(20)26-22-11-10-18-6-2-3-7-19(18)23(22)24;/h2-11H,12-17H2,1H3,(H,25,26);1H
InChIKeyKHGTVQIMYXMNNW-UHFFFAOYSA-N
XLogP4.62
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine
CID 89493370
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
CID 44531426
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531415
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
CID 44531380
N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531421
N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid
CID 21143004
N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820994
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride (CID 44531630) is N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride is CN1CCN(CCNc2c3ccccc3nc3ccc4ccccc4c23)CC1.Cl.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride?
The InChIKey is KHGTVQIMYXMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4.ClH/c1-27-14-16-28(17-15-27)13-12-25-24-20-8-4-5-9-21(20)26-22-11-10-18-6-2-3-7-19(18)23(22)24;/h2-11H,12-17H2,1H3,(H,25,26);1H.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride?
N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride has a molecular weight of 406.96 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride is sourced from PubChem (CID 44531630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).