4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline

C18H17N3S2 — CID 23739373

IUPAC4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline
SMILESCC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc(N)cc1
InChIInChI=1S/C18H17N3S2/c1-18(2)16-15(13-5-3-4-6-14(13)21-18)17(23-22-16)20-12-9-7-11(19)8-10-12/h3-10,21H,19H2,1-2H3/b20-17-
InChIKeyRNJUJDXKOWMBST-JZJYNLBNSA-N
MW339.49 g/mol
LogP4.95
Rot. Bonds1

About 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline

4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline (PubChem CID 23739373) has the molecular formula C18H17N3S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline.

Molecular Properties

Compound Name4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline
PubChem CID23739373
Molecular FormulaC18H17N3S2
Molecular Weight339.49 g/mol
Exact Mass339.09
IUPAC Name4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline
SMILESCC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc(N)cc1
InChIInChI=1S/C18H17N3S2/c1-18(2)16-15(13-5-3-4-6-14(13)21-18)17(23-22-16)20-12-9-7-11(19)8-10-12/h3-10,21H,19H2,1-2H3/b20-17-
InChIKeyRNJUJDXKOWMBST-JZJYNLBNSA-N
XLogP4.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
CID 3090505
2,3-dimethyl-N-[(1Z)-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
CID 1896083
N-(3-fluorophenyl)-4,4,7-trimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
CID 1572827
N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
CID 1635530
N-(3-fluorophenyl)-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
CID 1719003
N-(8-fluoro-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)-N-(3-methylphenyl)amine
CID 1739957
4-fluoro-N-[(1Z)-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
CID 3467681
2-(3-fluorophenyl)-4,4,6-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
CID 999683
N-[4-(4,4-dimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)phenyl]acetamide
CID 1007290
3-chloro-N-[(1Z)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
CID 1608203
2-methyl-N,2-diphenylindol-3-amine
CID 135454759
4,4-dimethyl-2-(4-methylphenyl)-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
CID 1897677

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline?
The IUPAC name of 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline (CID 23739373) is 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline.
What is the SMILES notation for 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline?
The canonical SMILES for 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline is CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc(N)cc1.
What is the InChIKey of 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline?
The InChIKey is RNJUJDXKOWMBST-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H17N3S2/c1-18(2)16-15(13-5-3-4-6-14(13)21-18)17(23-22-16)20-12-9-7-11(19)8-10-12/h3-10,21H,19H2,1-2H3/b20-17-.
What are the key properties of 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline?
4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline has a molecular weight of 339.49 g/mol, XLogP of 4.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]aniline is sourced from PubChem (CID 23739373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).