1-hexadecylacridine;hydrochloride

C29H42ClN — CID 172754650

IUPAC1-hexadecylacridine;hydrochloride
SMILESCCCCCCCCCCCCCCCCc1cccc2nc3ccccc3cc12.Cl
InChIInChI=1S/C29H41N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-21-18-23-29-27(25)24-26-20-16-17-22-28(26)30-29;/h16-18,20-24H,2-15,19H2,1H3;1H
InChIKeyKVTVZFQCTHXDTR-UHFFFAOYSA-N
MW440.12 g/mol
LogP9.83
Rot. Bonds15

About 1-hexadecylacridine;hydrochloride

1-hexadecylacridine;hydrochloride (PubChem CID 172754650) has the molecular formula C29H42ClN and a molecular weight of 440.12 g/mol. Its IUPAC name is 1-hexadecylacridine;hydrochloride.

Molecular Properties

Compound Name1-hexadecylacridine;hydrochloride
PubChem CID172754650
Molecular FormulaC29H42ClN
Molecular Weight440.12 g/mol
Exact Mass439.30
IUPAC Name1-hexadecylacridine;hydrochloride
SMILESCCCCCCCCCCCCCCCCc1cccc2nc3ccccc3cc12.Cl
InChIInChI=1S/C29H41N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-21-18-23-29-27(25)24-26-20-16-17-22-28(26)30-29;/h16-18,20-24H,2-15,19H2,1H3;1H
InChIKeyKVTVZFQCTHXDTR-UHFFFAOYSA-N
XLogP9.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.12
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylacridine
CID 87175858
1-tetradecylnaphthalene
CID 14402128
acridine;heptane
CID 158562494
1-dodecylpentacene
CID 141370235
1-heptylphenazine;hydrochloride
CID 175352325
lithium;1-hexylanthracene;hydride
CID 174350658
2-acridin-1-yl-1-heptylacridine
CID 164897649
potassium;hydride;1-octylnaphthalene
CID 173443599
3-octylquinolin-2-amine
CID 23131231
1-decoxyacridine
CID 159660851
2-fluoro-3-pentylquinoline
CID 67913215
4-hexyl-2-methylquinoline
CID 12861362

Frequently Asked Questions

What is the IUPAC name of 1-hexadecylacridine;hydrochloride?
The IUPAC name of 1-hexadecylacridine;hydrochloride (CID 172754650) is 1-hexadecylacridine;hydrochloride.
What is the SMILES notation for 1-hexadecylacridine;hydrochloride?
The canonical SMILES for 1-hexadecylacridine;hydrochloride is CCCCCCCCCCCCCCCCc1cccc2nc3ccccc3cc12.Cl.
What is the InChIKey of 1-hexadecylacridine;hydrochloride?
The InChIKey is KVTVZFQCTHXDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-21-18-23-29-27(25)24-26-20-16-17-22-28(26)30-29;/h16-18,20-24H,2-15,19H2,1H3;1H.
What are the key properties of 1-hexadecylacridine;hydrochloride?
1-hexadecylacridine;hydrochloride has a molecular weight of 440.12 g/mol, XLogP of 9.83, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecylacridine;hydrochloride is sourced from PubChem (CID 172754650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).