2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine

C19H15FN4S — CID 123636824

IUPAC2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
SMILESCc1cc(Nc2cc(Sc3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15FN4S/c1-12-10-18(24-23-12)21-17-11-19(22-16-5-3-2-4-15(16)17)25-14-8-6-13(20)7-9-14/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyWMJUMBRGZFOJOH-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.30
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine

2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine (PubChem CID 123636824) has the molecular formula C19H15FN4S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
PubChem CID123636824
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
SMILESCc1cc(Nc2cc(Sc3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15FN4S/c1-12-10-18(24-23-12)21-17-11-19(22-16-5-3-2-4-15(16)17)25-14-8-6-13(20)7-9-14/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyWMJUMBRGZFOJOH-UHFFFAOYSA-N
XLogP5.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzaldehyde
CID 88927768
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10200408
3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
CID 20604068
methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate
CID 10222050
1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine
CID 90918751
2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10201719
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate
CID 4550951
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946142

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine (CID 123636824) is 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine is Cc1cc(Nc2cc(Sc3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
The InChIKey is WMJUMBRGZFOJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c1-12-10-18(24-23-12)21-17-11-19(22-16-5-3-2-4-15(16)17)25-14-8-6-13(20)7-9-14/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine?
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine is sourced from PubChem (CID 123636824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).