9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

C18H15N3O3 — CID 169414693

IUPAC9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESO=C1CC(c2ccc3c(c2)OCCO3)c2c(ccc3cn[nH]c23)N1
InChIInChI=1S/C18H15N3O3/c22-16-8-12(10-2-4-14-15(7-10)24-6-5-23-14)17-13(20-16)3-1-11-9-19-21-18(11)17/h1-4,7,9,12H,5-6,8H2,(H,19,21)(H,20,22)
InChIKeyRBLYINWUOXSUDG-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.81
Rot. Bonds1

About 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (PubChem CID 169414693) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
PubChem CID169414693
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESO=C1CC(c2ccc3c(c2)OCCO3)c2c(ccc3cn[nH]c23)N1
InChIInChI=1S/C18H15N3O3/c22-16-8-12(10-2-4-14-15(7-10)24-6-5-23-14)17-13(20-16)3-1-11-9-19-21-18(11)17/h1-4,7,9,12H,5-6,8H2,(H,19,21)(H,20,22)
InChIKeyRBLYINWUOXSUDG-UHFFFAOYSA-N
XLogP2.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The IUPAC name of 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (CID 169414693) is 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.
What is the SMILES notation for 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The canonical SMILES for 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is O=C1CC(c2ccc3c(c2)OCCO3)c2c(ccc3cn[nH]c23)N1.
What is the InChIKey of 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The InChIKey is RBLYINWUOXSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16-8-12(10-2-4-14-15(7-10)24-6-5-23-14)17-13(20-16)3-1-11-9-19-21-18(11)17/h1-4,7,9,12H,5-6,8H2,(H,19,21)(H,20,22).
What are the key properties of 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one has a molecular weight of 321.34 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is sourced from PubChem (CID 169414693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).