dioxeto[3,4-f]isoquinoline

C9H5NO2 — CID 143457769

IUPACdioxeto[3,4-f]isoquinoline
SMILESc1cc2c(ccc3ooc32)cn1
InChIInChI=1S/C9H5NO2/c1-2-8-9(12-11-8)7-3-4-10-5-6(1)7/h1-5H
InChIKeyBDHSNUYTGKUWPD-UHFFFAOYSA-N
MW159.14 g/mol
LogP2.57
Rot. Bonds

About dioxeto[3,4-f]isoquinoline

dioxeto[3,4-f]isoquinoline (PubChem CID 143457769) has the molecular formula C9H5NO2 and a molecular weight of 159.14 g/mol. Its IUPAC name is dioxeto[3,4-f]isoquinoline.

Molecular Properties

Compound Namedioxeto[3,4-f]isoquinoline
PubChem CID143457769
Molecular FormulaC9H5NO2
Molecular Weight159.14 g/mol
Exact Mass159.03
IUPAC Namedioxeto[3,4-f]isoquinoline
SMILESc1cc2c(ccc3ooc32)cn1
InChIInChI=1S/C9H5NO2/c1-2-8-9(12-11-8)7-3-4-10-5-6(1)7/h1-5H
InChIKeyBDHSNUYTGKUWPD-UHFFFAOYSA-N
XLogP2.57
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-phenanthroline
CID 13064691
8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
CID 163959386
[1,2]oxazolo[3,4-f]isoquinoline
CID 91665541
benzo[f]isoquinolin-8-amine
CID 101109295
6-bromo-5-chloroisoquinoline
CID 58433034
6-chloroisoquinolin-5-ol
CID 115015519
2,9-phenanthroline
CID 23271029
isoquinoline-5-carbothialdehyde
CID 143050226
1-(6-fluoroisoquinolin-5-yl)ethanamine
CID 82575682
furo[3,4-c]pyridin-1-ol
CID 67873695
1H-1,8-phenanthrolin-2-one
CID 151551351
pyrido[3,4-f]phthalazine
CID 122577314

Frequently Asked Questions

What is the IUPAC name of dioxeto[3,4-f]isoquinoline?
The IUPAC name of dioxeto[3,4-f]isoquinoline (CID 143457769) is dioxeto[3,4-f]isoquinoline.
What is the SMILES notation for dioxeto[3,4-f]isoquinoline?
The canonical SMILES for dioxeto[3,4-f]isoquinoline is c1cc2c(ccc3ooc32)cn1.
What is the InChIKey of dioxeto[3,4-f]isoquinoline?
The InChIKey is BDHSNUYTGKUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO2/c1-2-8-9(12-11-8)7-3-4-10-5-6(1)7/h1-5H.
What are the key properties of dioxeto[3,4-f]isoquinoline?
dioxeto[3,4-f]isoquinoline has a molecular weight of 159.14 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxeto[3,4-f]isoquinoline is sourced from PubChem (CID 143457769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).