6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one

C18H20N2O4 — CID 168593797

IUPAC6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one
SMILESCCOc1ccc2[nH]c3cc(NCC(O)CO)ccc3c(=O)c2c1
InChIInChI=1S/C18H20N2O4/c1-2-24-13-4-6-16-15(8-13)18(23)14-5-3-11(7-17(14)20-16)19-9-12(22)10-21/h3-8,12,19,21-22H,2,9-10H2,1H3,(H,20,23)
InChIKeyFDDDIFIBQYTZNJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.85
Rot. Bonds6

About 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one

6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one (PubChem CID 168593797) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one
PubChem CID168593797
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one
SMILESCCOc1ccc2[nH]c3cc(NCC(O)CO)ccc3c(=O)c2c1
InChIInChI=1S/C18H20N2O4/c1-2-24-13-4-6-16-15(8-13)18(23)14-5-3-11(7-17(14)20-16)19-9-12(22)10-21/h3-8,12,19,21-22H,2,9-10H2,1H3,(H,20,23)
InChIKeyFDDDIFIBQYTZNJ-UHFFFAOYSA-N
XLogP1.85
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(7-ethoxy-9-oxo-10H-acridin-3-yl)formamide
CID 168651298
(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea
CID 169360017
2,7-diethoxy-10H-acridin-9-one
CID 163923657
N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide
CID 169373409
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
(2S)-1-(4-ethoxyanilino)-3-[(2R)-3-(4-ethoxyanilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 7230989
3-(3-butoxyanilino)propane-1,2-diol
CID 168597577
3-(4-nonoxyanilino)propane-1,2-diol
CID 168593717
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
3-[4-(6-ethoxy-1,3-benzothiazol-2-yl)anilino]propane-1,2-diol
CID 168594942
7-ethoxy-4-methyl-1H-quinolin-2-one
CID 121226556

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one?
The IUPAC name of 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one (CID 168593797) is 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one.
What is the SMILES notation for 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one?
The canonical SMILES for 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one is CCOc1ccc2[nH]c3cc(NCC(O)CO)ccc3c(=O)c2c1.
What is the InChIKey of 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one?
The InChIKey is FDDDIFIBQYTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-13-4-6-16-15(8-13)18(23)14-5-3-11(7-17(14)20-16)19-9-12(22)10-21/h3-8,12,19,21-22H,2,9-10H2,1H3,(H,20,23).
What are the key properties of 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one?
6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one has a molecular weight of 328.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one is sourced from PubChem (CID 168593797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).