N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

C32H40N6 — CID 10458944

IUPACN-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1
InChIInChI=1S/C32H40N6/c1-37(2)15-5-13-33-21-23-8-11-30-26(17-23)19-25-9-12-31-28(32(25)36-30)20-27-18-24(7-10-29(27)35-31)22-34-14-6-16-38(3)4/h7-12,17-20,33-34H,5-6,13-16,21-22H2,1-4H3
InChIKeyNHTBLWMLKNYBKI-UHFFFAOYSA-N
MW508.71 g/mol
LogP5.17
Rot. Bonds12

About N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 10458944) has the molecular formula C32H40N6 and a molecular weight of 508.71 g/mol. Its IUPAC name is N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID10458944
Molecular FormulaC32H40N6
Molecular Weight508.71 g/mol
Exact Mass508.33
IUPAC NameN-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1
InChIInChI=1S/C32H40N6/c1-37(2)15-5-13-33-21-23-8-11-30-26(17-23)19-25-9-12-31-28(32(25)36-30)20-27-18-24(7-10-29(27)35-31)22-34-14-6-16-38(3)4/h7-12,17-20,33-34H,5-6,13-16,21-22H2,1-4H3
InChIKeyNHTBLWMLKNYBKI-UHFFFAOYSA-N
XLogP5.17
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 10458944) is N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1.
What is the InChIKey of N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is NHTBLWMLKNYBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6/c1-37(2)15-5-13-33-21-23-8-11-30-26(17-23)19-25-9-12-31-28(32(25)36-30)20-27-18-24(7-10-29(27)35-31)22-34-14-6-16-38(3)4/h7-12,17-20,33-34H,5-6,13-16,21-22H2,1-4H3.
What are the key properties of N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 508.71 g/mol, XLogP of 5.17, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 10458944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).