5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride

C26H37Cl2N3O — CID 44531335

IUPAC5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
SMILESCCCN(CCC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl
InChIInChI=1S/C26H36ClN3O.ClH/c1-5-14-30(15-6-2)16-8-7-9-19(3)28-26-22-12-10-20(27)17-25(22)29-24-13-11-21(31-4)18-23(24)26;/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,28,29);1H
InChIKeyPFAVEFCRPZTKSU-UHFFFAOYSA-N
MW478.51 g/mol
LogP7.56
Rot. Bonds12

About 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride

5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride (PubChem CID 44531335) has the molecular formula C26H37Cl2N3O and a molecular weight of 478.51 g/mol. Its IUPAC name is 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
PubChem CID44531335
Molecular FormulaC26H37Cl2N3O
Molecular Weight478.51 g/mol
Exact Mass477.23
IUPAC Name5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
SMILESCCCN(CCC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl
InChIInChI=1S/C26H36ClN3O.ClH/c1-5-14-30(15-6-2)16-8-7-9-19(3)28-26-22-12-10-20(27)17-25(22)29-24-13-11-21(31-4)18-23(24)26;/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,28,29);1H
InChIKeyPFAVEFCRPZTKSU-UHFFFAOYSA-N
XLogP7.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
(4S)-1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
CID 21158865
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine
CID 20753270
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N,N-diethylpentan-1-amine oxide;dihydrochloride
CID 129318847
4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl-diethyl-propan-2-ylazanium
CID 163985999
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine
CID 71471956
4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine
CID 176557691
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709

Frequently Asked Questions

What is the IUPAC name of 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride?
The IUPAC name of 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride (CID 44531335) is 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride.
What is the SMILES notation for 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride?
The canonical SMILES for 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride is CCCN(CCC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.
What is the InChIKey of 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride?
The InChIKey is PFAVEFCRPZTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN3O.ClH/c1-5-14-30(15-6-2)16-8-7-9-19(3)28-26-22-12-10-20(27)17-25(22)29-24-13-11-21(31-4)18-23(24)26;/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,28,29);1H.
What are the key properties of 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride?
5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride has a molecular weight of 478.51 g/mol, XLogP of 7.56, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride is sourced from PubChem (CID 44531335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).