9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline

C21H23N3OS — CID 118467811

IUPAC9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
SMILESCOc1ccc(-c2c3c(nc4nc(N5CCCC5)sc24)CCCC3)cc1
InChIInChI=1S/C21H23N3OS/c1-25-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)22-20-19(18)26-21(23-20)24-12-4-5-13-24/h8-11H,2-7,12-13H2,1H3
InChIKeyJMGSCAHMIPXOLL-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.85
Rot. Bonds3

About 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline

9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline (PubChem CID 118467811) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
PubChem CID118467811
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
SMILESCOc1ccc(-c2c3c(nc4nc(N5CCCC5)sc24)CCCC3)cc1
InChIInChI=1S/C21H23N3OS/c1-25-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)22-20-19(18)26-21(23-20)24-12-4-5-13-24/h8-11H,2-7,12-13H2,1H3
InChIKeyJMGSCAHMIPXOLL-UHFFFAOYSA-N
XLogP4.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
The IUPAC name of 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline (CID 118467811) is 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline.
What is the SMILES notation for 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
The canonical SMILES for 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline is COc1ccc(-c2c3c(nc4nc(N5CCCC5)sc24)CCCC3)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
The InChIKey is JMGSCAHMIPXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-25-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)22-20-19(18)26-21(23-20)24-12-4-5-13-24/h8-11H,2-7,12-13H2,1H3.
What are the key properties of 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline has a molecular weight of 365.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline is sourced from PubChem (CID 118467811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).