5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one

C20H13NO4 — CID 118719515

IUPAC5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1c(-c2cccc3ccccc23)cc2cc3c(cc2n1O)OCO3
InChIInChI=1S/C20H13NO4/c22-20-16(15-7-3-5-12-4-1-2-6-14(12)15)8-13-9-18-19(25-11-24-18)10-17(13)21(20)23/h1-10,23H,11H2
InChIKeyYKPLYKLUFYMNJF-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.79
Rot. Bonds1

About 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one

5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 118719515) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID118719515
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC Name5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1c(-c2cccc3ccccc23)cc2cc3c(cc2n1O)OCO3
InChIInChI=1S/C20H13NO4/c22-20-16(15-7-3-5-12-4-1-2-6-14(12)15)8-13-9-18-19(25-11-24-18)10-17(13)21(20)23/h1-10,23H,11H2
InChIKeyYKPLYKLUFYMNJF-UHFFFAOYSA-N
XLogP3.79
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 118719515) is 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1c(-c2cccc3ccccc23)cc2cc3c(cc2n1O)OCO3.
What is the InChIKey of 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is YKPLYKLUFYMNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-20-16(15-7-3-5-12-4-1-2-6-14(12)15)8-13-9-18-19(25-11-24-18)10-17(13)21(20)23/h1-10,23H,11H2.
What are the key properties of 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one?
5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 331.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 118719515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).