8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine

C16H12F2N2S — CID 43518973

IUPAC8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
SMILESNc1ccc(CSc2cc(F)ccc2F)c2ncccc12
InChIInChI=1S/C16H12F2N2S/c17-11-4-5-13(18)15(8-11)21-9-10-3-6-14(19)12-2-1-7-20-16(10)12/h1-8H,9,19H2
InChIKeyIVKOSYKBQKRQCV-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.39
Rot. Bonds3

About 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine

8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine (PubChem CID 43518973) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
PubChem CID43518973
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
SMILESNc1ccc(CSc2cc(F)ccc2F)c2ncccc12
InChIInChI=1S/C16H12F2N2S/c17-11-4-5-13(18)15(8-11)21-9-10-3-6-14(19)12-2-1-7-20-16(10)12/h1-8H,9,19H2
InChIKeyIVKOSYKBQKRQCV-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249080
2-chloro-4-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 79130214
3-[(2,5-difluorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 63099818
8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine
CID 61244156
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
2-[(2,5-difluorophenyl)sulfanylmethyl]pyridine-3-carboxylic acid
CID 114198319
5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250007
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-5-fluoroaniline
CID 62470374
8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
CID 43376990
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]aniline
CID 64767853
4-fluoro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 79148713

Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine?
The IUPAC name of 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine (CID 43518973) is 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine.
What is the SMILES notation for 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine?
The canonical SMILES for 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine is Nc1ccc(CSc2cc(F)ccc2F)c2ncccc12.
What is the InChIKey of 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine?
The InChIKey is IVKOSYKBQKRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2S/c17-11-4-5-13(18)15(8-11)21-9-10-3-6-14(19)12-2-1-7-20-16(10)12/h1-8H,9,19H2.
What are the key properties of 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine?
8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine has a molecular weight of 302.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine is sourced from PubChem (CID 43518973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).