N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

C20H24N2S — CID 171488399

IUPACN-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESC=Cc1ccc(SNCc2ccc3c(c2)CCCN3CC)cc1
InChIInChI=1S/C20H24N2S/c1-3-16-7-10-19(11-8-16)23-21-15-17-9-12-20-18(14-17)6-5-13-22(20)4-2/h3,7-12,14,21H,1,4-6,13,15H2,2H3
InChIKeyXBVKYILXKWREOL-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.90
Rot. Bonds6

About N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (PubChem CID 171488399) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
PubChem CID171488399
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC NameN-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESC=Cc1ccc(SNCc2ccc3c(c2)CCCN3CC)cc1
InChIInChI=1S/C20H24N2S/c1-3-16-7-10-19(11-8-16)23-21-15-17-9-12-20-18(14-17)6-5-13-22(20)4-2/h3,7-12,14,21H,1,4-6,13,15H2,2H3
InChIKeyXBVKYILXKWREOL-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The IUPAC name of N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (CID 171488399) is N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.
What is the SMILES notation for N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The canonical SMILES for N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is C=Cc1ccc(SNCc2ccc3c(c2)CCCN3CC)cc1.
What is the InChIKey of N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The InChIKey is XBVKYILXKWREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S/c1-3-16-7-10-19(11-8-16)23-21-15-17-9-12-20-18(14-17)6-5-13-22(20)4-2/h3,7-12,14,21H,1,4-6,13,15H2,2H3.
What are the key properties of N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine has a molecular weight of 324.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)sulfanyl-1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is sourced from PubChem (CID 171488399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).