7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine

C22H24N4O2S — CID 168886641

IUPAC7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine
SMILESCC(NS)c1ccn(C)n1.COc1ccc2c(Oc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13NO2.C6H11N3S/c1-18-13-7-8-14-15(11-13)17-10-9-16(14)19-12-5-3-2-4-6-12;1-5(8-10)6-3-4-9(2)7-6/h2-11H,1H3;3-5,8,10H,1-2H3
InChIKeyZBEHFBBHQNMDIL-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.95
Rot. Bonds5

About 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine

7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine (PubChem CID 168886641) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine.

Molecular Properties

Compound Name7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine
PubChem CID168886641
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine
SMILESCC(NS)c1ccn(C)n1.COc1ccc2c(Oc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13NO2.C6H11N3S/c1-18-13-7-8-14-15(11-13)17-10-9-16(14)19-12-5-3-2-4-6-12;1-5(8-10)6-3-4-9(2)7-6/h2-11H,1H3;3-5,8,10H,1-2H3
InChIKeyZBEHFBBHQNMDIL-UHFFFAOYSA-N
XLogP4.95
TPSA61.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 168886837
4,7-dimethoxyquinoline
CID 20743716
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886716
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
7-iodo-6-methoxy-4-phenoxyquinoline
CID 90048384
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine?
The IUPAC name of 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine (CID 168886641) is 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine.
What is the SMILES notation for 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine?
The canonical SMILES for 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine is CC(NS)c1ccn(C)n1.COc1ccc2c(Oc3ccccc3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine?
The InChIKey is ZBEHFBBHQNMDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2.C6H11N3S/c1-18-13-7-8-14-15(11-13)17-10-9-16(14)19-12-5-3-2-4-6-12;1-5(8-10)6-3-4-9(2)7-6/h2-11H,1H3;3-5,8,10H,1-2H3.
What are the key properties of 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine?
7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine has a molecular weight of 408.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine is sourced from PubChem (CID 168886641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).