6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione

C18H15NO5 — CID 101243979

IUPAC6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione
SMILESCC1(C)CC(=O)c2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1
InChIInChI=1S/C18H15NO5/c1-18(2)7-11(22)13-12(24-18)6-10(21)14-16(13)19-15-8(17(14)23)4-3-5-9(15)20/h3-6,20-21H,7H2,1-2H3,(H,19,23)
InChIKeyKJOJTWDBXVDCNZ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.84
Rot. Bonds

About 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione

6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione (PubChem CID 101243979) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione.

Molecular Properties

Compound Name6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione
PubChem CID101243979
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione
SMILESCC1(C)CC(=O)c2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1
InChIInChI=1S/C18H15NO5/c1-18(2)7-11(22)13-12(24-18)6-10(21)14-16(13)19-15-8(17(14)23)4-3-5-9(15)20/h3-6,20-21H,7H2,1-2H3,(H,19,23)
InChIKeyKJOJTWDBXVDCNZ-UHFFFAOYSA-N
XLogP2.84
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trihydroxy-4-(3-methylbut-2-enyl)-10H-acridin-9-one
CID 11953486
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 5479541
6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
CID 163098872
3,6,7,9-tetrahydroxy-3-methyl-2H-benzo[f]chromen-1-one
CID 135563709
(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one
CID 139081756
6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 5483895
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 59442987
6,10,11-trihydroxy-1,1-dimethyl-2H-pyrano[2,3-c]xanthene-3,7-dione
CID 78319183
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
7-(benzenesulfinyl)-2,2-dimethyl-3H-chromen-4-one
CID 143248180
6-hydroxy-2,2-dimethyl-7-methylsulfanyl-3H-chromen-4-one
CID 102241810

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione?
The IUPAC name of 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione (CID 101243979) is 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione.
What is the SMILES notation for 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione?
The canonical SMILES for 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione is CC1(C)CC(=O)c2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1.
What is the InChIKey of 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione?
The InChIKey is KJOJTWDBXVDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-18(2)7-11(22)13-12(24-18)6-10(21)14-16(13)19-15-8(17(14)23)4-3-5-9(15)20/h3-6,20-21H,7H2,1-2H3,(H,19,23).
What are the key properties of 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione?
6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione has a molecular weight of 325.32 g/mol, XLogP of 2.84, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione is sourced from PubChem (CID 101243979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).