N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine

C15H11F2N3S — CID 164876762

IUPACN-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
SMILESFC(F)c1ccc(SNc2cccc3cccnc23)cn1
InChIInChI=1S/C15H11F2N3S/c16-15(17)13-7-6-11(9-19-13)21-20-12-5-1-3-10-4-2-8-18-14(10)12/h1-9,15,20H
InChIKeyLRNFZUMOMIAUSS-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.69
Rot. Bonds4

About N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine

N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine (PubChem CID 164876762) has the molecular formula C15H11F2N3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
PubChem CID164876762
Molecular FormulaC15H11F2N3S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC NameN-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
SMILESFC(F)c1ccc(SNc2cccc3cccnc23)cn1
InChIInChI=1S/C15H11F2N3S/c16-15(17)13-7-6-11(9-19-13)21-20-12-5-1-3-10-4-2-8-18-14(10)12/h1-9,15,20H
InChIKeyLRNFZUMOMIAUSS-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876948
N-phenylsulfanylquinolin-8-amine
CID 123285595
N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876681
N-quinolin-8-ylhydroxylamine
CID 22011433
N-methoxyquinolin-8-amine
CID 143696561
3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline
CID 166805531
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine?
The IUPAC name of N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine (CID 164876762) is N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine.
What is the SMILES notation for N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine?
The canonical SMILES for N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine is FC(F)c1ccc(SNc2cccc3cccnc23)cn1.
What is the InChIKey of N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine?
The InChIKey is LRNFZUMOMIAUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3S/c16-15(17)13-7-6-11(9-19-13)21-20-12-5-1-3-10-4-2-8-18-14(10)12/h1-9,15,20H.
What are the key properties of N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine?
N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine has a molecular weight of 303.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine is sourced from PubChem (CID 164876762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).