4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine

C22H28ClN3 — CID 23422070

IUPAC4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2ccccc2nc2cc(Cl)ccc12
InChIInChI=1S/C22H28ClN3/c1-4-26(5-2)14-8-9-16(3)24-22-18-10-6-7-11-20(18)25-21-15-17(23)12-13-19(21)22/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H,24,25)
InChIKeyYDSJOXQUGFFAKB-UHFFFAOYSA-N
MW369.94 g/mol
LogP5.96
Rot. Bonds8

About 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 23422070) has the molecular formula C22H28ClN3 and a molecular weight of 369.94 g/mol. Its IUPAC name is 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID23422070
Molecular FormulaC22H28ClN3
Molecular Weight369.94 g/mol
Exact Mass369.20
IUPAC Name4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2ccccc2nc2cc(Cl)ccc12
InChIInChI=1S/C22H28ClN3/c1-4-26(5-2)14-8-9-16(3)24-22-18-10-6-7-11-20(18)25-21-15-17(23)12-13-19(21)22/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H,24,25)
InChIKeyYDSJOXQUGFFAKB-UHFFFAOYSA-N
XLogP5.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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
4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine
CID 176557691
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
(4S)-1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
CID 21158865
4-N-(2-bromo-4-methylacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride
CID 21144133
4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 68861292
5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
CID 44531335
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
6-chloro-4-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-2-methylsulfanylquinoline-3-carbonitrile
CID 99923187

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 23422070) is 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c2ccccc2nc2cc(Cl)ccc12.
What is the InChIKey of 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is YDSJOXQUGFFAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3/c1-4-26(5-2)14-8-9-16(3)24-22-18-10-6-7-11-20(18)25-21-15-17(23)12-13-19(21)22/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H,24,25).
What are the key properties of 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 369.94 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 23422070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).