N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine

C26H26N4 — CID 15546844

IUPACN',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCNCc1cc2nc3ccccc3cc2c2cc3ccccc3nc12
InChIInChI=1S/C26H26N4/c1-30(2)13-7-12-27-17-20-16-25-21(14-18-8-3-5-10-23(18)28-25)22-15-19-9-4-6-11-24(19)29-26(20)22/h3-6,8-11,14-16,27H,7,12-13,17H2,1-2H3
InChIKeyODRJKMAOZRXVQR-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.13
Rot. Bonds6

About N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine

N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine (PubChem CID 15546844) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine
PubChem CID15546844
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC NameN',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCNCc1cc2nc3ccccc3cc2c2cc3ccccc3nc12
InChIInChI=1S/C26H26N4/c1-30(2)13-7-12-27-17-20-16-25-21(14-18-8-3-5-10-23(18)28-25)22-15-19-9-4-6-11-24(19)29-26(20)22/h3-6,8-11,14-16,27H,7,12-13,17H2,1-2H3
InChIKeyODRJKMAOZRXVQR-UHFFFAOYSA-N
XLogP5.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
CID 15546843
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
N-[[5-chloro-3-[[3-(dimethylamino)propylamino]methyl]-2-(8-phenyloctoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 19930261
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
1-[[3-(dimethylamino)propylamino]methyl]benzo[f]chromen-3-one
CID 4858068
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine (CID 15546844) is N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine is CN(C)CCCNCc1cc2nc3ccccc3cc2c2cc3ccccc3nc12.
What is the InChIKey of N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine?
The InChIKey is ODRJKMAOZRXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-30(2)13-7-12-27-17-20-16-25-21(14-18-8-3-5-10-23(18)28-25)22-15-19-9-4-6-11-24(19)29-26(20)22/h3-6,8-11,14-16,27H,7,12-13,17H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine?
N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine has a molecular weight of 394.52 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 15546844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).