7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine

C22H24N2OS2 — CID 3507326

IUPAC7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine
SMILESCCOc1ccc2c(c1)N(C)C(C)(C)c1ss/c(=N\c3ccc(C)cc3)c1-2
InChIInChI=1S/C22H24N2OS2/c1-6-25-16-11-12-17-18(13-16)24(5)22(3,4)20-19(17)21(27-26-20)23-15-9-7-14(2)8-10-15/h7-13H,6H2,1-5H3/b23-21-
InChIKeyGQEXZAFGJJFOFU-LNVKXUELSA-N
MW396.58 g/mol
LogP6.10
Rot. Bonds3

About 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine

7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine (PubChem CID 3507326) has the molecular formula C22H24N2OS2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine.

Molecular Properties

Compound Name7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine
PubChem CID3507326
Molecular FormulaC22H24N2OS2
Molecular Weight396.58 g/mol
Exact Mass396.13
IUPAC Name7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine
SMILESCCOc1ccc2c(c1)N(C)C(C)(C)c1ss/c(=N\c3ccc(C)cc3)c1-2
InChIInChI=1S/C22H24N2OS2/c1-6-25-16-11-12-17-18(13-16)24(5)22(3,4)20-19(17)21(27-26-20)23-15-9-7-14(2)8-10-15/h7-13H,6H2,1-5H3/b23-21-
InChIKeyGQEXZAFGJJFOFU-LNVKXUELSA-N
XLogP6.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine?
The IUPAC name of 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine (CID 3507326) is 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine.
What is the SMILES notation for 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine?
The canonical SMILES for 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine is CCOc1ccc2c(c1)N(C)C(C)(C)c1ss/c(=N\c3ccc(C)cc3)c1-2.
What is the InChIKey of 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine?
The InChIKey is GQEXZAFGJJFOFU-LNVKXUELSA-N. The full InChI is InChI=1S/C22H24N2OS2/c1-6-25-16-11-12-17-18(13-16)24(5)22(3,4)20-19(17)21(27-26-20)23-15-9-7-14(2)8-10-15/h7-13H,6H2,1-5H3/b23-21-.
What are the key properties of 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine?
7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine has a molecular weight of 396.58 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4,4,5-trimethyl-N-(4-methylphenyl)dithiolo[3,4-c]quinolin-1-imine is sourced from PubChem (CID 3507326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).