(2-benzylsulfanylquinolin-4-yl)methanamine

C17H16N2S — CID 63885681

IUPAC(2-benzylsulfanylquinolin-4-yl)methanamine
SMILESNCc1cc(SCc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H16N2S/c18-11-14-10-17(19-16-9-5-4-8-15(14)16)20-12-13-6-2-1-3-7-13/h1-10H,11-12,18H2
InChIKeySMHRLSQJVNFEAN-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.99
Rot. Bonds4

About (2-benzylsulfanylquinolin-4-yl)methanamine

(2-benzylsulfanylquinolin-4-yl)methanamine (PubChem CID 63885681) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is (2-benzylsulfanylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-benzylsulfanylquinolin-4-yl)methanamine
PubChem CID63885681
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name(2-benzylsulfanylquinolin-4-yl)methanamine
SMILESNCc1cc(SCc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H16N2S/c18-11-14-10-17(19-16-9-5-4-8-15(14)16)20-12-13-6-2-1-3-7-13/h1-10H,11-12,18H2
InChIKeySMHRLSQJVNFEAN-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanylquinolin-4-yl)methanamine?
The IUPAC name of (2-benzylsulfanylquinolin-4-yl)methanamine (CID 63885681) is (2-benzylsulfanylquinolin-4-yl)methanamine.
What is the SMILES notation for (2-benzylsulfanylquinolin-4-yl)methanamine?
The canonical SMILES for (2-benzylsulfanylquinolin-4-yl)methanamine is NCc1cc(SCc2ccccc2)nc2ccccc12.
What is the InChIKey of (2-benzylsulfanylquinolin-4-yl)methanamine?
The InChIKey is SMHRLSQJVNFEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c18-11-14-10-17(19-16-9-5-4-8-15(14)16)20-12-13-6-2-1-3-7-13/h1-10H,11-12,18H2.
What are the key properties of (2-benzylsulfanylquinolin-4-yl)methanamine?
(2-benzylsulfanylquinolin-4-yl)methanamine has a molecular weight of 280.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanylquinolin-4-yl)methanamine is sourced from PubChem (CID 63885681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).