N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine

C24H21N3 — CID 15546843

IUPACN-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
SMILESCCCNCc1cc2nc3ccccc3cc2c2cc3ccccc3nc12
InChIInChI=1S/C24H21N3/c1-2-11-25-15-18-14-23-19(12-16-7-3-5-9-21(16)26-23)20-13-17-8-4-6-10-22(17)27-24(18)20/h3-10,12-14,25H,2,11,15H2,1H3
InChIKeyWQILAACRNLOPLM-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.59
Rot. Bonds4

About N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine

N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine (PubChem CID 15546843) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
PubChem CID15546843
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC NameN-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
SMILESCCCNCc1cc2nc3ccccc3cc2c2cc3ccccc3nc12
InChIInChI=1S/C24H21N3/c1-2-11-25-15-18-14-23-19(12-16-7-3-5-9-21(16)26-23)20-13-17-8-4-6-10-22(17)27-24(18)20/h3-10,12-14,25H,2,11,15H2,1H3
InChIKeyWQILAACRNLOPLM-UHFFFAOYSA-N
XLogP5.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine
CID 15546844
N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 55238495
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107783164
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
N-(2H-benzotriazol-4-ylmethyl)propan-1-amine
CID 69434998
1-octadecylacridine
CID 87175858
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
CID 62288336
1-hexadecylacridine;hydrochloride
CID 172754650
acridine;heptane
CID 158562494

Frequently Asked Questions

What is the IUPAC name of N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine?
The IUPAC name of N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine (CID 15546843) is N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine?
The canonical SMILES for N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine is CCCNCc1cc2nc3ccccc3cc2c2cc3ccccc3nc12.
What is the InChIKey of N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine?
The InChIKey is WQILAACRNLOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-2-11-25-15-18-14-23-19(12-16-7-3-5-9-21(16)26-23)20-13-17-8-4-6-10-22(17)27-24(18)20/h3-10,12-14,25H,2,11,15H2,1H3.
What are the key properties of N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine?
N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine has a molecular weight of 351.45 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 15546843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).