4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine

C26H30N4O — CID 10597900

IUPAC4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine
SMILESCCN(CC)CCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC
InChIInChI=1S/C26H30N4O/c1-4-30(5-2)17-16-27-24-15-14-19(18-25(24)31-3)28-26-20-10-6-8-12-22(20)29-23-13-9-7-11-21(23)26/h6-15,18,27H,4-5,16-17H2,1-3H3,(H,28,29)
InChIKeyJSUNLOKUMUGSSF-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.89
Rot. Bonds9

About 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine

4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine (PubChem CID 10597900) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine
PubChem CID10597900
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine
SMILESCCN(CC)CCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC
InChIInChI=1S/C26H30N4O/c1-4-30(5-2)17-16-27-24-15-14-19(18-25(24)31-3)28-26-20-10-6-8-12-22(20)29-23-13-9-7-11-21(23)26/h6-15,18,27H,4-5,16-17H2,1-3H3,(H,28,29)
InChIKeyJSUNLOKUMUGSSF-UHFFFAOYSA-N
XLogP5.89
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Amsacrine
CID 2179
Amsacrine Hydrochloride
CID 148673
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methoxyphenyl)methyl)amino)-
CID 3025616
Acridine, 9-(p-anisidino)-
CID 43640
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618
1-Acridinol, 1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-
CID 3025629
1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
CID 453054
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
5-(2-(4-(3-(cis-3,5-Dimethylpiperazin-1-yl)benzyl)piperidin-1-yl)ethoxy)-2-methylquinoline
CID 10174078
N-(3-{4-[2-(2-Methylquinolin-5-yloxy)ethyl]piperazin-1-ylmethyl}phenyl)-acetamide
CID 10237964

Frequently Asked Questions

What is the IUPAC name of 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine (CID 10597900) is 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine is CCN(CC)CCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC.
What is the InChIKey of 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine?
The InChIKey is JSUNLOKUMUGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-4-30(5-2)17-16-27-24-15-14-19(18-25(24)31-3)28-26-20-10-6-8-12-22(20)29-23-13-9-7-11-21(23)26/h6-15,18,27H,4-5,16-17H2,1-3H3,(H,28,29).
What are the key properties of 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine?
4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine has a molecular weight of 414.55 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 10597900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).