1,3-benzodioxole;quinoline

C16H13NO2 — CID 67983716

IUPAC1,3-benzodioxole;quinoline
SMILESc1ccc2c(c1)OCO2.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)8-5-9-7/h1-7H;1-4H,5H2
InChIKeyDHTDYJXHWCPJHQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.65
Rot. Bonds

About 1,3-benzodioxole;quinoline

1,3-benzodioxole;quinoline (PubChem CID 67983716) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,3-benzodioxole;quinoline.

Molecular Properties

Compound Name1,3-benzodioxole;quinoline
PubChem CID67983716
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1,3-benzodioxole;quinoline
SMILESc1ccc2c(c1)OCO2.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)8-5-9-7/h1-7H;1-4H,5H2
InChIKeyDHTDYJXHWCPJHQ-UHFFFAOYSA-N
XLogP3.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-benzodioxole;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;quinoline?
The IUPAC name of 1,3-benzodioxole;quinoline (CID 67983716) is 1,3-benzodioxole;quinoline.
What is the SMILES notation for 1,3-benzodioxole;quinoline?
The canonical SMILES for 1,3-benzodioxole;quinoline is c1ccc2c(c1)OCO2.c1ccc2ncccc2c1.
What is the InChIKey of 1,3-benzodioxole;quinoline?
The InChIKey is DHTDYJXHWCPJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)8-5-9-7/h1-7H;1-4H,5H2.
What are the key properties of 1,3-benzodioxole;quinoline?
1,3-benzodioxole;quinoline has a molecular weight of 251.29 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;quinoline is sourced from PubChem (CID 67983716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).