8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline

C22H21N3O2S — CID 165179158

IUPAC8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline
SMILESCOc1ccc(COc2cc(SCc3ccnn3C)cc3cccnc23)cc1
InChIInChI=1S/C22H21N3O2S/c1-25-18(9-11-24-25)15-28-20-12-17-4-3-10-23-22(17)21(13-20)27-14-16-5-7-19(26-2)8-6-16/h3-13H,14-15H2,1-2H3
InChIKeySWEVITDCMHMAJU-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.85
Rot. Bonds7

About 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline

8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline (PubChem CID 165179158) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline
PubChem CID165179158
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline
SMILESCOc1ccc(COc2cc(SCc3ccnn3C)cc3cccnc23)cc1
InChIInChI=1S/C22H21N3O2S/c1-25-18(9-11-24-25)15-28-20-12-17-4-3-10-23-22(17)21(13-20)27-14-16-5-7-19(26-2)8-6-16/h3-13H,14-15H2,1-2H3
InChIKeySWEVITDCMHMAJU-UHFFFAOYSA-N
XLogP4.85
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline?
The IUPAC name of 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline (CID 165179158) is 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline.
What is the SMILES notation for 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline?
The canonical SMILES for 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline is COc1ccc(COc2cc(SCc3ccnn3C)cc3cccnc23)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline?
The InChIKey is SWEVITDCMHMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-25-18(9-11-24-25)15-28-20-12-17-4-3-10-23-22(17)21(13-20)27-14-16-5-7-19(26-2)8-6-16/h3-13H,14-15H2,1-2H3.
What are the key properties of 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline?
8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline has a molecular weight of 391.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline is sourced from PubChem (CID 165179158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).