9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide

C24H24N4O — CID 59765054

IUPAC9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12
InChIInChI=1S/C24H24N4O/c1-28(2)16-15-25-24(29)20-13-8-12-19-22(26-17-9-4-3-5-10-17)18-11-6-7-14-21(18)27-23(19)20/h3-14H,15-16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyUPKLDJSJPMWAAF-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.42
Rot. Bonds6

About 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide

9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (PubChem CID 59765054) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.

Molecular Properties

Compound Name9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
PubChem CID59765054
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12
InChIInChI=1S/C24H24N4O/c1-28(2)16-15-25-24(29)20-13-8-12-19-22(26-17-9-4-3-5-10-17)18-11-6-7-14-21(18)27-23(19)20/h3-14H,15-16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyUPKLDJSJPMWAAF-UHFFFAOYSA-N
XLogP4.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
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'}

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Related Compounds

[5-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 91058936
N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-9-anilinoacridine-4-carboxamide
CID 10767633
[4-[bis(2-chloroethyl)amino]phenyl] N-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-4-methylphenyl]carbamate
CID 87745891
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]-5-methoxyacridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 90811123
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
9-[4-[3-(2-aminoethylamino)propyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methoxyacridine-4-carboxamide
CID 51033461
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
CID 45262948
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine
CID 158860940
N-[2-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-9-anilinoacridine-4-carboxamide
CID 10697798
9-[2-(methylamino)ethylamino]-N-[4-(phenylcarbamoylamino)butyl]acridine-4-carboxamide;trihydrochloride
CID 11671576

Frequently Asked Questions

What is the IUPAC name of 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The IUPAC name of 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (CID 59765054) is 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.
What is the SMILES notation for 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The canonical SMILES for 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12.
What is the InChIKey of 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The InChIKey is UPKLDJSJPMWAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-28(2)16-15-25-24(29)20-13-8-12-19-22(26-17-9-4-3-5-10-17)18-11-6-7-14-21(18)27-23(19)20/h3-14H,15-16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is sourced from PubChem (CID 59765054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).