N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine

C20H19FN2S2 — CID 3467681

IUPACN-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine
SMILESCc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(F)cc1)C(C)(C)N2
InChIInChI=1S/C20H19FN2S2/c1-11-9-15-16(10-12(11)2)23-20(3,4)18-17(15)19(25-24-18)22-14-7-5-13(21)6-8-14/h5-10,23H,1-4H3/b22-19-
InChIKeyZVTQIMUYXGLCAN-QOCHGBHMSA-N
MW370.52 g/mol
LogP6.13
Rot. Bonds1

About N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine

N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine (PubChem CID 3467681) has the molecular formula C20H19FN2S2 and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine
PubChem CID3467681
Molecular FormulaC20H19FN2S2
Molecular Weight370.52 g/mol
Exact Mass370.10
IUPAC NameN-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine
SMILESCc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(F)cc1)C(C)(C)N2
InChIInChI=1S/C20H19FN2S2/c1-11-9-15-16(10-12(11)2)23-20(3,4)18-17(15)19(25-24-18)22-14-7-5-13(21)6-8-14/h5-10,23H,1-4H3/b22-19-
InChIKeyZVTQIMUYXGLCAN-QOCHGBHMSA-N
XLogP6.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
The IUPAC name of N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine (CID 3467681) is N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
The canonical SMILES for N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine is Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(F)cc1)C(C)(C)N2.
What is the InChIKey of N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
The InChIKey is ZVTQIMUYXGLCAN-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H19FN2S2/c1-11-9-15-16(10-12(11)2)23-20(3,4)18-17(15)19(25-24-18)22-14-7-5-13(21)6-8-14/h5-10,23H,1-4H3/b22-19-.
What are the key properties of N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine has a molecular weight of 370.52 g/mol, XLogP of 6.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,4,7,8-tetramethyl-5H-dithiolo[3,4-c]quinolin-1-imine is sourced from PubChem (CID 3467681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).