[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine

C17H16N2OS — CID 61290357

IUPAC[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
SMILESCOc1ccccc1Sc1c(CN)cnc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-20-15-8-4-5-9-16(15)21-17-12(10-18)11-19-14-7-3-2-6-13(14)17/h2-9,11H,10,18H2,1H3
InChIKeyFZFZRYUGZSRIBC-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.85
Rot. Bonds4

About [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine

[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine (PubChem CID 61290357) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
PubChem CID61290357
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
SMILESCOc1ccccc1Sc1c(CN)cnc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-20-15-8-4-5-9-16(15)21-17-12(10-18)11-19-14-7-3-2-6-13(14)17/h2-9,11H,10,18H2,1H3
InChIKeyFZFZRYUGZSRIBC-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine?
The IUPAC name of [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine (CID 61290357) is [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine.
What is the SMILES notation for [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine?
The canonical SMILES for [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine is COc1ccccc1Sc1c(CN)cnc2ccccc12.
What is the InChIKey of [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine?
The InChIKey is FZFZRYUGZSRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-15-8-4-5-9-16(15)21-17-12(10-18)11-19-14-7-3-2-6-13(14)17/h2-9,11H,10,18H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine?
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine is sourced from PubChem (CID 61290357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).