3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline

C22H20N2OS2 — CID 15270562

IUPAC3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline
SMILESCSc1c(Sc2cnc3ccccc3c2OC(C)C)cnc2ccccc12
InChIInChI=1S/C22H20N2OS2/c1-14(2)25-21-15-8-4-6-10-17(15)23-12-19(21)27-20-13-24-18-11-7-5-9-16(18)22(20)26-3/h4-14H,1-3H3
InChIKeyDJGUWURMCSPTQY-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.44
Rot. Bonds5

About 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline

3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline (PubChem CID 15270562) has the molecular formula C22H20N2OS2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline.

Molecular Properties

Compound Name3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline
PubChem CID15270562
Molecular FormulaC22H20N2OS2
Molecular Weight392.55 g/mol
Exact Mass392.10
IUPAC Name3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline
SMILESCSc1c(Sc2cnc3ccccc3c2OC(C)C)cnc2ccccc12
InChIInChI=1S/C22H20N2OS2/c1-14(2)25-21-15-8-4-6-10-17(15)23-12-19(21)27-20-13-24-18-11-7-5-9-16(18)22(20)26-3/h4-14H,1-3H3
InChIKeyDJGUWURMCSPTQY-UHFFFAOYSA-N
XLogP6.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline with MolForge

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Related Compounds

4-methylsulfanyl-3-[(4-methylsulfanylquinolin-3-yl)disulfanyl]quinoline
CID 101180966
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
4-methylsulfanyl-3-(3-prop-2-enylsulfanylquinolin-4-yl)sulfanylquinoline
CID 100963300
3-butylsulfanyl-4-(4-methylsulfanylquinolin-3-yl)sulfanylquinoline
CID 100963298
3-[3-(3-methylsulfanylquinolin-4-yl)sulfanylquinolin-4-yl]oxypropan-1-ol
CID 15456220
4-(4-methoxyquinolin-3-yl)sulfanyl-2-propan-2-ylquinoline-3-thiol
CID 24827632
4-(3-methylbutan-2-yloxy)quinolin-3-amine
CID 113359457
3-(3-methylsulfonylquinolin-4-yl)sulfanyl-4-phenoxyquinoline
CID 102152542
4-(3-methylsulfanylquinolin-4-yl)sulfanylbut-2-yn-1-ol
CID 44562463
4-prop-2-ynoxy-3-[3-[2-[4-(4-prop-2-ynoxyquinolin-3-yl)sulfanylquinolin-3-yl]sulfanylethylsulfanyl]quinolin-4-yl]sulfanylquinoline
CID 10700395
4-(3-hydroxybutan-2-ylsulfanyl)quinoline-3-carboxylic acid
CID 107770192
4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine
CID 113359456

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline?
The IUPAC name of 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline (CID 15270562) is 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline.
What is the SMILES notation for 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline?
The canonical SMILES for 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline is CSc1c(Sc2cnc3ccccc3c2OC(C)C)cnc2ccccc12.
What is the InChIKey of 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline?
The InChIKey is DJGUWURMCSPTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS2/c1-14(2)25-21-15-8-4-6-10-17(15)23-12-19(21)27-20-13-24-18-11-7-5-9-16(18)22(20)26-3/h4-14H,1-3H3.
What are the key properties of 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline?
3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline has a molecular weight of 392.55 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline is sourced from PubChem (CID 15270562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).