6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

C18H15NO3 — CID 5479541

IUPAC6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4[nH]c23)O1
InChIInChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)
InChIKeyRPWNPBFZWFWZNJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.57
Rot. Bonds

About 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (PubChem CID 5479541) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID5479541
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4[nH]c23)O1
InChIInChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)
InChIKeyRPWNPBFZWFWZNJ-UHFFFAOYSA-N
XLogP3.57
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 162837479
6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
CID 163098872
9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
CID 5384552
2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one
CID 154130044
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104
11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
CID 163012107
6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione
CID 101243979
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
9-(hydroxymethyl)-5,5-dimethyl-6,18-dioxa-16-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,8,12(17),13,15-heptaen-11-one
CID 11594731
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
CID 13462851
methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
CID 51039827

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The IUPAC name of 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (CID 5479541) is 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4[nH]c23)O1.
What is the InChIKey of 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The InChIKey is RPWNPBFZWFWZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one has a molecular weight of 293.32 g/mol, XLogP of 3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 5479541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).