6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline

C16H10ClNO2 — CID 5329280

IUPAC6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline
SMILESClc1nc2cc3c(cc2cc1-c1ccccc1)OCO3
InChIInChI=1S/C16H10ClNO2/c17-16-12(10-4-2-1-3-5-10)6-11-7-14-15(20-9-19-14)8-13(11)18-16/h1-8H,9H2
InChIKeyTWSDEOXKXYWQFW-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.28
Rot. Bonds1

About 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline

6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 5329280) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline
PubChem CID5329280
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline
SMILESClc1nc2cc3c(cc2cc1-c1ccccc1)OCO3
InChIInChI=1S/C16H10ClNO2/c17-16-12(10-4-2-1-3-5-10)6-11-7-14-15(20-9-19-14)8-13(11)18-16/h1-8H,9H2
InChIKeyTWSDEOXKXYWQFW-UHFFFAOYSA-N
XLogP4.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline (CID 5329280) is 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline is Clc1nc2cc3c(cc2cc1-c1ccccc1)OCO3.
What is the InChIKey of 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is TWSDEOXKXYWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-16-12(10-4-2-1-3-5-10)6-11-7-14-15(20-9-19-14)8-13(11)18-16/h1-8H,9H2.
What are the key properties of 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline?
6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 283.71 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-phenyl-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 5329280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).