4-chloro-[1,3]dioxolo[4,5-g]cinnoline

C9H5ClN2O2 — CID 22139485

IUPAC4-chloro-[1,3]dioxolo[4,5-g]cinnoline
SMILESClc1cnnc2cc3c(cc12)OCO3
InChIInChI=1S/C9H5ClN2O2/c10-6-3-11-12-7-2-9-8(1-5(6)7)13-4-14-9/h1-3H,4H2
InChIKeyVPQMWSVKDUFHTK-UHFFFAOYSA-N
MW208.60 g/mol
LogP2.01
Rot. Bonds

About 4-chloro-[1,3]dioxolo[4,5-g]cinnoline

4-chloro-[1,3]dioxolo[4,5-g]cinnoline (PubChem CID 22139485) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 4-chloro-[1,3]dioxolo[4,5-g]cinnoline.

Molecular Properties

Compound Name4-chloro-[1,3]dioxolo[4,5-g]cinnoline
PubChem CID22139485
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name4-chloro-[1,3]dioxolo[4,5-g]cinnoline
SMILESClc1cnnc2cc3c(cc12)OCO3
InChIInChI=1S/C9H5ClN2O2/c10-6-3-11-12-7-2-9-8(1-5(6)7)13-4-14-9/h1-3H,4H2
InChIKeyVPQMWSVKDUFHTK-UHFFFAOYSA-N
XLogP2.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-[1,3]dioxolo[4,5-g]cinnoline?
The IUPAC name of 4-chloro-[1,3]dioxolo[4,5-g]cinnoline (CID 22139485) is 4-chloro-[1,3]dioxolo[4,5-g]cinnoline.
What is the SMILES notation for 4-chloro-[1,3]dioxolo[4,5-g]cinnoline?
The canonical SMILES for 4-chloro-[1,3]dioxolo[4,5-g]cinnoline is Clc1cnnc2cc3c(cc12)OCO3.
What is the InChIKey of 4-chloro-[1,3]dioxolo[4,5-g]cinnoline?
The InChIKey is VPQMWSVKDUFHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-6-3-11-12-7-2-9-8(1-5(6)7)13-4-14-9/h1-3H,4H2.
What are the key properties of 4-chloro-[1,3]dioxolo[4,5-g]cinnoline?
4-chloro-[1,3]dioxolo[4,5-g]cinnoline has a molecular weight of 208.60 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-[1,3]dioxolo[4,5-g]cinnoline is sourced from PubChem (CID 22139485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).