3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one

C18H19NO5 — CID 45113521

IUPAC3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
SMILESCOc1cc(OCC(O)CO)cc2c1c(=O)c1ccccc1n2C
InChIInChI=1S/C18H19NO5/c1-19-14-6-4-3-5-13(14)18(22)17-15(19)7-12(8-16(17)23-2)24-10-11(21)9-20/h3-8,11,20-21H,9-10H2,1-2H3
InChIKeyPMVPVZRBHDTRHA-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.43
Rot. Bonds5

About 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one

3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one (PubChem CID 45113521) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
PubChem CID45113521
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
SMILESCOc1cc(OCC(O)CO)cc2c1c(=O)c1ccccc1n2C
InChIInChI=1S/C18H19NO5/c1-19-14-6-4-3-5-13(14)18(22)17-15(19)7-12(8-16(17)23-2)24-10-11(21)9-20/h3-8,11,20-21H,9-10H2,1-2H3
InChIKeyPMVPVZRBHDTRHA-UHFFFAOYSA-N
XLogP1.43
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one?
The IUPAC name of 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one (CID 45113521) is 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one is COc1cc(OCC(O)CO)cc2c1c(=O)c1ccccc1n2C.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one?
The InChIKey is PMVPVZRBHDTRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-19-14-6-4-3-5-13(14)18(22)17-15(19)7-12(8-16(17)23-2)24-10-11(21)9-20/h3-8,11,20-21H,9-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one?
3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one has a molecular weight of 329.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one is sourced from PubChem (CID 45113521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).