N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine

C20H20N2OS2 — CID 3278465

IUPACN-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
SMILESCCOc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1
InChIInChI=1S/C20H20N2OS2/c1-4-23-14-11-9-13(10-12-14)21-19-17-15-7-5-6-8-16(15)22-20(2,3)18(17)24-25-19/h5-12,22H,4H2,1-3H3/b21-19-
InChIKeyCFZYTSQBYCPTOP-VZCXRCSSSA-N
MW368.53 g/mol
LogP5.77
Rot. Bonds3

About N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine

N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine (PubChem CID 3278465) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
PubChem CID3278465
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC NameN-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
SMILESCCOc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1
InChIInChI=1S/C20H20N2OS2/c1-4-23-14-11-9-13(10-12-14)21-19-17-15-7-5-6-8-16(15)22-20(2,3)18(17)24-25-19/h5-12,22H,4H2,1-3H3/b21-19-
InChIKeyCFZYTSQBYCPTOP-VZCXRCSSSA-N
XLogP5.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
The IUPAC name of N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine (CID 3278465) is N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine is CCOc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
The InChIKey is CFZYTSQBYCPTOP-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-4-23-14-11-9-13(10-12-14)21-19-17-15-7-5-6-8-16(15)22-20(2,3)18(17)24-25-19/h5-12,22H,4H2,1-3H3/b21-19-.
What are the key properties of N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine?
N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine has a molecular weight of 368.53 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine is sourced from PubChem (CID 3278465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).