3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine

C18H20N2O3 — CID 53475922

IUPAC3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
SMILESCOc1ccc2nc3ccc(OC)cc3c(OCCCN)c2c1
InChIInChI=1S/C18H20N2O3/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyXSGCWAWKGDDDGL-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.13
Rot. Bonds6

About 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine

3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine (PubChem CID 53475922) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
PubChem CID53475922
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
SMILESCOc1ccc2nc3ccc(OC)cc3c(OCCCN)c2c1
InChIInChI=1S/C18H20N2O3/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyXSGCWAWKGDDDGL-UHFFFAOYSA-N
XLogP3.13
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
CID 71699942
9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
CID 21280841
(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol
CID 70839350
3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
CID 173089726
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
4-[3-(4-chlorophenoxy)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 166329872
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
2-(4-amino-6-methoxyquinazolin-2-yl)ethanol
CID 105473832
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
3-iodo-6-methoxy-2-methylquinolin-4-amine
CID 121236710

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine?
The IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine (CID 53475922) is 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine?
The canonical SMILES for 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine is COc1ccc2nc3ccc(OC)cc3c(OCCCN)c2c1.
What is the InChIKey of 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine?
The InChIKey is XSGCWAWKGDDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3.
What are the key properties of 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine?
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine has a molecular weight of 312.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine is sourced from PubChem (CID 53475922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).