N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine

C19H22FN3OS — CID 168886783

IUPACN-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine
SMILESCCCNS.COc1ccc2c(Nc3cccc(F)c3)ccnc2c1
InChIInChI=1S/C16H13FN2O.C3H9NS/c1-20-13-5-6-14-15(7-8-18-16(14)10-13)19-12-4-2-3-11(17)9-12;1-2-3-4-5/h2-10H,1H3,(H,18,19);4-5H,2-3H2,1H3
InChIKeyJUBBROUOBRFMKE-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.96
Rot. Bonds5

About N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine

N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine (PubChem CID 168886783) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine
PubChem CID168886783
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine
SMILESCCCNS.COc1ccc2c(Nc3cccc(F)c3)ccnc2c1
InChIInChI=1S/C16H13FN2O.C3H9NS/c1-20-13-5-6-14-15(7-8-18-16(14)10-13)19-12-4-2-3-11(17)9-12;1-2-3-4-5/h2-10H,1H3,(H,18,19);4-5H,2-3H2,1H3
InChIKeyJUBBROUOBRFMKE-UHFFFAOYSA-N
XLogP4.96
TPSA46.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine?
The IUPAC name of N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine (CID 168886783) is N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine.
What is the SMILES notation for N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine?
The canonical SMILES for N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine is CCCNS.COc1ccc2c(Nc3cccc(F)c3)ccnc2c1.
What is the InChIKey of N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine?
The InChIKey is JUBBROUOBRFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.C3H9NS/c1-20-13-5-6-14-15(7-8-18-16(14)10-13)19-12-4-2-3-11(17)9-12;1-2-3-4-5/h2-10H,1H3,(H,18,19);4-5H,2-3H2,1H3.
What are the key properties of N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine?
N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine has a molecular weight of 359.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine is sourced from PubChem (CID 168886783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).