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

C19H17NO4 — CID 5281850

IUPAC5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C1(C)CO1)O3
InChIInChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3
InChIKeyYXQGLAPCZDYVLL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.49
Rot. Bonds1

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

5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one (PubChem CID 5281850) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one.

Molecular Properties

Compound Name5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one
PubChem CID5281850
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C1(C)CO1)O3
InChIInChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3
InChIKeyYXQGLAPCZDYVLL-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acronycine
CID 345512
Citracridone I
CID 5487591
Arborinine
CID 5281832
2-(1,2-Dihydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methylfuro(2,3-c)acridin-6(2H)-one
CID 5317836
Isogravacridonechlorine
CID 5486900
Gravacridonetriol
CID 21586648
5-Hydroxy-11-methyl-2-(prop-1-EN-2-YL)-1H,2H,6H,11H-furo[2,3-C]acridin-6-one
CID 5281849
5-Methoxynoracronycine
CID 14463134
1-Hydroxy-3-methoxy-10-methylacridone
CID 5377412
Citpressine I
CID 5494827
citpressine II
CID 5494828
7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3,12-trimethyl-5-(3-methyl-2-butenyl)-
CID 633176

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one?
The IUPAC name of 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one (CID 5281850) is 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one.
What is the SMILES notation for 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one?
The canonical SMILES for 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one is Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C1(C)CO1)O3.
What is the InChIKey of 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one?
The InChIKey is YXQGLAPCZDYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3.
What are the key properties of 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one?
5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one has a molecular weight of 323.35 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one is sourced from PubChem (CID 5281850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).