2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one

C19H19NO5 — CID 5317836

IUPAC2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CO)O3
InChIInChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3
InChIKeyRQAGSTDFTGSIGB-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.44
Rot. Bonds2

About 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one

2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one (PubChem CID 5317836) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one.

Molecular Properties

Compound Name2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
PubChem CID5317836
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CO)O3
InChIInChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3
InChIKeyRQAGSTDFTGSIGB-UHFFFAOYSA-N
XLogP1.44
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
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 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
The IUPAC name of 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one (CID 5317836) is 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one.
What is the SMILES notation for 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
The canonical SMILES for 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one is Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CO)O3.
What is the InChIKey of 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
The InChIKey is RQAGSTDFTGSIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3.
What are the key properties of 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one has a molecular weight of 341.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one is sourced from PubChem (CID 5317836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).