N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

C23H28N2S — CID 50868485

IUPACN-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2ccc(/C=N/c3ccccc3SC)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2S/c1-6-13-25-21-12-11-18(14-19(21)17(2)15-23(25,3)4)16-24-20-9-7-8-10-22(20)26-5/h7-12,14-16H,6,13H2,1-5H3/b24-16+
InChIKeyNGAPKCRFNFTLEA-LFVJCYFKSA-N
MW364.56 g/mol
LogP6.57
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50868485) has the molecular formula C23H28N2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50868485
Molecular FormulaC23H28N2S
Molecular Weight364.56 g/mol
Exact Mass364.20
IUPAC NameN-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2ccc(/C=N/c3ccccc3SC)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2S/c1-6-13-25-21-12-11-18(14-19(21)17(2)15-23(25,3)4)16-24-20-9-7-8-10-22(20)26-5/h7-12,14-16H,6,13H2,1-5H3/b24-16+
InChIKeyNGAPKCRFNFTLEA-LFVJCYFKSA-N
XLogP6.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (CID 50868485) is N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2ccc(/C=N/c3ccccc3SC)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is NGAPKCRFNFTLEA-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H28N2S/c1-6-13-25-21-12-11-18(14-19(21)17(2)15-23(25,3)4)16-24-20-9-7-8-10-22(20)26-5/h7-12,14-16H,6,13H2,1-5H3/b24-16+.
What are the key properties of N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 364.56 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50868485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).