7-ethoxy-9-N-propylacridine-3,9-diamine

C18H21N3O — CID 10685301

IUPAC7-ethoxy-9-N-propylacridine-3,9-diamine
SMILESCCCNc1c2ccc(N)cc2nc2ccc(OCC)cc12
InChIInChI=1S/C18H21N3O/c1-3-9-20-18-14-7-5-12(19)10-17(14)21-16-8-6-13(22-4-2)11-15(16)18/h5-8,10-11H,3-4,9,19H2,1-2H3,(H,20,21)
InChIKeyGZELABAPOQCQBD-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.19
Rot. Bonds5

About 7-ethoxy-9-N-propylacridine-3,9-diamine

7-ethoxy-9-N-propylacridine-3,9-diamine (PubChem CID 10685301) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 7-ethoxy-9-N-propylacridine-3,9-diamine.

Molecular Properties

Compound Name7-ethoxy-9-N-propylacridine-3,9-diamine
PubChem CID10685301
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name7-ethoxy-9-N-propylacridine-3,9-diamine
SMILESCCCNc1c2ccc(N)cc2nc2ccc(OCC)cc12
InChIInChI=1S/C18H21N3O/c1-3-9-20-18-14-7-5-12(19)10-17(14)21-16-8-6-13(22-4-2)11-15(16)18/h5-8,10-11H,3-4,9,19H2,1-2H3,(H,20,21)
InChIKeyGZELABAPOQCQBD-UHFFFAOYSA-N
XLogP4.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480039
6-chloro-2-ethoxyacridin-9-amine
CID 71700026
6-ethoxy-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480542
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
6-ethoxy-N-ethyl-2,3-dimethylquinolin-4-amine
CID 62202534
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea
CID 122373750
6-ethoxy-3-propan-2-yl-N-propylquinolin-2-amine
CID 63529698
(6-ethoxy-4-methylquinolin-2-yl)hydrazine
CID 82017717
7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine
CID 170245037

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-9-N-propylacridine-3,9-diamine?
The IUPAC name of 7-ethoxy-9-N-propylacridine-3,9-diamine (CID 10685301) is 7-ethoxy-9-N-propylacridine-3,9-diamine.
What is the SMILES notation for 7-ethoxy-9-N-propylacridine-3,9-diamine?
The canonical SMILES for 7-ethoxy-9-N-propylacridine-3,9-diamine is CCCNc1c2ccc(N)cc2nc2ccc(OCC)cc12.
What is the InChIKey of 7-ethoxy-9-N-propylacridine-3,9-diamine?
The InChIKey is GZELABAPOQCQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-9-20-18-14-7-5-12(19)10-17(14)21-16-8-6-13(22-4-2)11-15(16)18/h5-8,10-11H,3-4,9,19H2,1-2H3,(H,20,21).
What are the key properties of 7-ethoxy-9-N-propylacridine-3,9-diamine?
7-ethoxy-9-N-propylacridine-3,9-diamine has a molecular weight of 295.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-9-N-propylacridine-3,9-diamine is sourced from PubChem (CID 10685301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).