5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline

C17H17FN2O2 — CID 82156733

IUPAC5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline
SMILESCC1CNc2cc3c(cc2N1Cc1ccccc1F)OCO3
InChIInChI=1S/C17H17FN2O2/c1-11-8-19-14-6-16-17(22-10-21-16)7-15(14)20(11)9-12-4-2-3-5-13(12)18/h2-7,11,19H,8-10H2,1H3
InChIKeySLOKYHRHNFELQR-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.38
Rot. Bonds2

About 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline

5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline (PubChem CID 82156733) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline
PubChem CID82156733
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline
SMILESCC1CNc2cc3c(cc2N1Cc1ccccc1F)OCO3
InChIInChI=1S/C17H17FN2O2/c1-11-8-19-14-6-16-17(22-10-21-16)7-15(14)20(11)9-12-4-2-3-5-13(12)18/h2-7,11,19H,8-10H2,1H3
InChIKeySLOKYHRHNFELQR-UHFFFAOYSA-N
XLogP3.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline (CID 82156733) is 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline is CC1CNc2cc3c(cc2N1Cc1ccccc1F)OCO3.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline?
The InChIKey is SLOKYHRHNFELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-8-19-14-6-16-17(22-10-21-16)7-15(14)20(11)9-12-4-2-3-5-13(12)18/h2-7,11,19H,8-10H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline?
5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline has a molecular weight of 300.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinoxaline is sourced from PubChem (CID 82156733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).