N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide

C20H23N3O — CID 54432311

IUPACN-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
SMILESCc1cc2cc3cccc(C(=O)NCCN(C)C)c3nc2cc1C
InChIInChI=1S/C20H23N3O/c1-13-10-16-12-15-6-5-7-17(20(24)21-8-9-23(3)4)19(15)22-18(16)11-14(13)2/h5-7,10-12H,8-9H2,1-4H3,(H,21,24)
InChIKeyWIIBKOOYIACETR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide (PubChem CID 54432311) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
PubChem CID54432311
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
SMILESCc1cc2cc3cccc(C(=O)NCCN(C)C)c3nc2cc1C
InChIInChI=1S/C20H23N3O/c1-13-10-16-12-15-6-5-7-17(20(24)21-8-9-23(3)4)19(15)22-18(16)11-14(13)2/h5-7,10-12H,8-9H2,1-4H3,(H,21,24)
InChIKeyWIIBKOOYIACETR-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
CID 101079695
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-[2-(dimethylamino)ethyl]-[1]benzofuro[2,3-b]quinoline-7-carboxamide
CID 10640396
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
CID 89338534
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 91058936
N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
CID 10603794
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
CID 21143217
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide (CID 54432311) is N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide is Cc1cc2cc3cccc(C(=O)NCCN(C)C)c3nc2cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide?
The InChIKey is WIIBKOOYIACETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-10-16-12-15-6-5-7-17(20(24)21-8-9-23(3)4)19(15)22-18(16)11-14(13)2/h5-7,10-12H,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide is sourced from PubChem (CID 54432311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).