6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one

C19H19NO3 — CID 5483895

IUPAC6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CCC(C)(C)O3
InChIInChI=1S/C19H19NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-7,10,21H,8-9H2,1-3H3
InChIKeyWSQFRVYIGHDUQT-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.50
Rot. Bonds

About 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one

6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one (PubChem CID 5483895) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
PubChem CID5483895
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CCC(C)(C)O3
InChIInChI=1S/C19H19NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-7,10,21H,8-9H2,1-3H3
InChIKeyWSQFRVYIGHDUQT-UHFFFAOYSA-N
XLogP3.50
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one?
The IUPAC name of 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one (CID 5483895) is 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one is Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CCC(C)(C)O3.
What is the InChIKey of 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one?
The InChIKey is WSQFRVYIGHDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-7,10,21H,8-9H2,1-3H3.
What are the key properties of 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one?
6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one has a molecular weight of 309.36 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 5483895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).