[1,2]oxazolo[3,4-f]isoquinoline

C10H6N2O — CID 91665541

IUPAC[1,2]oxazolo[3,4-f]isoquinoline
SMILESc1cc2c(ccc3conc32)cn1
InChIInChI=1S/C10H6N2O/c1-2-8-6-13-12-10(8)9-3-4-11-5-7(1)9/h1-6H
InChIKeyXHHRNCNJYCTEJO-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.38
Rot. Bonds

About [1,2]oxazolo[3,4-f]isoquinoline

[1,2]oxazolo[3,4-f]isoquinoline (PubChem CID 91665541) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is [1,2]oxazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name[1,2]oxazolo[3,4-f]isoquinoline
PubChem CID91665541
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name[1,2]oxazolo[3,4-f]isoquinoline
SMILESc1cc2c(ccc3conc32)cn1
InChIInChI=1S/C10H6N2O/c1-2-8-6-13-12-10(8)9-3-4-11-5-7(1)9/h1-6H
InChIKeyXHHRNCNJYCTEJO-UHFFFAOYSA-N
XLogP2.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-phenanthroline
CID 13064691
thieno[2,3-g][2,1]benzoxazole
CID 59692784
dioxeto[3,4-f]isoquinoline
CID 143457769
furo[3,4-c]pyridin-1-ol
CID 67873695
benzo[f]isoquinolin-8-amine
CID 101109295
6-chloroisoquinolin-5-ol
CID 115015519
6-bromo-5-chloroisoquinoline
CID 58433034
2,9-phenanthroline
CID 23271029
2,6-naphthyridine-4-thiol
CID 137209130
(3-methyl-1,8-phenanthrolin-2-yl)hydrazine
CID 63232790
4-isoquinolin-6-yl-1,2-oxazol-3-amine
CID 67524608
1H-1,8-phenanthrolin-2-one
CID 151551351

Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[3,4-f]isoquinoline?
The IUPAC name of [1,2]oxazolo[3,4-f]isoquinoline (CID 91665541) is [1,2]oxazolo[3,4-f]isoquinoline.
What is the SMILES notation for [1,2]oxazolo[3,4-f]isoquinoline?
The canonical SMILES for [1,2]oxazolo[3,4-f]isoquinoline is c1cc2c(ccc3conc32)cn1.
What is the InChIKey of [1,2]oxazolo[3,4-f]isoquinoline?
The InChIKey is XHHRNCNJYCTEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c1-2-8-6-13-12-10(8)9-3-4-11-5-7(1)9/h1-6H.
What are the key properties of [1,2]oxazolo[3,4-f]isoquinoline?
[1,2]oxazolo[3,4-f]isoquinoline has a molecular weight of 170.17 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[3,4-f]isoquinoline is sourced from PubChem (CID 91665541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).