2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine

C19H22N2S — CID 170610684

IUPAC2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine
SMILESCSc1cc(Nc2ccccc2)cc2c1NC(C)(C)C=C2C
InChIInChI=1S/C19H22N2S/c1-13-12-19(2,3)21-18-16(13)10-15(11-17(18)22-4)20-14-8-6-5-7-9-14/h5-12,20-21H,1-4H3
InChIKeyASJTVQLDPCKJEF-UHFFFAOYSA-N
MW310.47 g/mol
LogP5.76
Rot. Bonds3

About 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine

2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine (PubChem CID 170610684) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine
PubChem CID170610684
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine
SMILESCSc1cc(Nc2ccccc2)cc2c1NC(C)(C)C=C2C
InChIInChI=1S/C19H22N2S/c1-13-12-19(2,3)21-18-16(13)10-15(11-17(18)22-4)20-14-8-6-5-7-9-14/h5-12,20-21H,1-4H3
InChIKeyASJTVQLDPCKJEF-UHFFFAOYSA-N
XLogP5.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.47
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine?
The IUPAC name of 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine (CID 170610684) is 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine.
What is the SMILES notation for 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine?
The canonical SMILES for 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine is CSc1cc(Nc2ccccc2)cc2c1NC(C)(C)C=C2C.
What is the InChIKey of 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine?
The InChIKey is ASJTVQLDPCKJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-13-12-19(2,3)21-18-16(13)10-15(11-17(18)22-4)20-14-8-6-5-7-9-14/h5-12,20-21H,1-4H3.
What are the key properties of 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine?
2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine has a molecular weight of 310.47 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine is sourced from PubChem (CID 170610684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).