N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine

C20H22N2S — CID 70548280

IUPACN,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine
SMILESCN(C)CCCSc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C20H22N2S/c1-22(2)13-8-14-23-20-18(16-9-4-3-5-10-16)15-17-11-6-7-12-19(17)21-20/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyLWJYTRARZZSTGY-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.95
Rot. Bonds6

About N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine

N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine (PubChem CID 70548280) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine
PubChem CID70548280
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC NameN,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine
SMILESCN(C)CCCSc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C20H22N2S/c1-22(2)13-8-14-23-20-18(16-9-4-3-5-10-16)15-17-11-6-7-12-19(17)21-20/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyLWJYTRARZZSTGY-UHFFFAOYSA-N
XLogP4.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine (CID 70548280) is N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine is CN(C)CCCSc1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine?
The InChIKey is LWJYTRARZZSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-22(2)13-8-14-23-20-18(16-9-4-3-5-10-16)15-17-11-6-7-12-19(17)21-20/h3-7,9-12,15H,8,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine?
N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine has a molecular weight of 322.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 70548280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).