N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride

C22H29ClN4O — CID 45261359

IUPACN-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride
SMILESCl.NCCNCCCCCCNC(=O)c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C22H28N4O.ClH/c23-11-14-24-12-5-1-2-6-13-25-22(27)18-9-10-21-19(16-18)15-17-7-3-4-8-20(17)26-21;/h3-4,7-10,15-16,24H,1-2,5-6,11-14,23H2,(H,25,27);1H
InChIKeyVYUJWQAMUNUNGS-UHFFFAOYSA-N
MW400.95 g/mol
LogP3.65
Rot. Bonds10

About N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride

N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride (PubChem CID 45261359) has the molecular formula C22H29ClN4O and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride
PubChem CID45261359
Molecular FormulaC22H29ClN4O
Molecular Weight400.95 g/mol
Exact Mass400.20
IUPAC NameN-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride
SMILESCl.NCCNCCCCCCNC(=O)c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C22H28N4O.ClH/c23-11-14-24-12-5-1-2-6-13-25-22(27)18-9-10-21-19(16-18)15-17-7-3-4-8-20(17)26-21;/h3-4,7-10,15-16,24H,1-2,5-6,11-14,23H2,(H,25,27);1H
InChIKeyVYUJWQAMUNUNGS-UHFFFAOYSA-N
XLogP3.65
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.65
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride (CID 45261359) is N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride is Cl.NCCNCCCCCCNC(=O)c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride?
The InChIKey is VYUJWQAMUNUNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.ClH/c23-11-14-24-12-5-1-2-6-13-25-22(27)18-9-10-21-19(16-18)15-17-7-3-4-8-20(17)26-21;/h3-4,7-10,15-16,24H,1-2,5-6,11-14,23H2,(H,25,27);1H.
What are the key properties of N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride?
N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 45261359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).