6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine

C19H13NO2S — CID 134950820

IUPAC6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine
SMILESCc1ccsc1-c1nc2ccccc2c2cc3c(cc12)OCO3
InChIInChI=1S/C19H13NO2S/c1-11-6-7-23-19(11)18-14-9-17-16(21-10-22-17)8-13(14)12-4-2-3-5-15(12)20-18/h2-9H,10H2,1H3
InChIKeyMAYIPCLGSUSWHV-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.15
Rot. Bonds1

About 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine

6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine (PubChem CID 134950820) has the molecular formula C19H13NO2S and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine.

Molecular Properties

Compound Name6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine
PubChem CID134950820
Molecular FormulaC19H13NO2S
Molecular Weight319.38 g/mol
Exact Mass319.07
IUPAC Name6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine
SMILESCc1ccsc1-c1nc2ccccc2c2cc3c(cc12)OCO3
InChIInChI=1S/C19H13NO2S/c1-11-6-7-23-19(11)18-14-9-17-16(21-10-22-17)8-13(14)12-4-2-3-5-15(12)20-18/h2-9H,10H2,1H3
InChIKeyMAYIPCLGSUSWHV-UHFFFAOYSA-N
XLogP5.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine 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 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine?
The IUPAC name of 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine (CID 134950820) is 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine.
What is the SMILES notation for 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine?
The canonical SMILES for 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine is Cc1ccsc1-c1nc2ccccc2c2cc3c(cc12)OCO3.
What is the InChIKey of 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine?
The InChIKey is MAYIPCLGSUSWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S/c1-11-6-7-23-19(11)18-14-9-17-16(21-10-22-17)8-13(14)12-4-2-3-5-15(12)20-18/h2-9H,10H2,1H3.
What are the key properties of 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine?
6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine has a molecular weight of 319.38 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylthiophen-2-yl)-[1,3]dioxolo[4,5-j]phenanthridine is sourced from PubChem (CID 134950820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).