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

C22H25N3OS — CID 118467818

IUPAC9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
SMILESCOc1ccc(-c2c3c(nc4nc(N5CCCCC5)sc24)CCCC3)cc1
InChIInChI=1S/C22H25N3OS/c1-26-16-11-9-15(10-12-16)19-17-7-3-4-8-18(17)23-21-20(19)27-22(24-21)25-13-5-2-6-14-25/h9-12H,2-8,13-14H2,1H3
InChIKeyBAHUGVFBEZJTJT-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.24
Rot. Bonds3

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

9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline (PubChem CID 118467818) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
PubChem CID118467818
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
SMILESCOc1ccc(-c2c3c(nc4nc(N5CCCCC5)sc24)CCCC3)cc1
InChIInChI=1S/C22H25N3OS/c1-26-16-11-9-15(10-12-16)19-17-7-3-4-8-18(17)23-21-20(19)27-22(24-21)25-13-5-2-6-14-25/h9-12H,2-8,13-14H2,1H3
InChIKeyBAHUGVFBEZJTJT-UHFFFAOYSA-N
XLogP5.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.24
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-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
The IUPAC name of 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline (CID 118467818) is 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline.
What is the SMILES notation for 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
The canonical SMILES for 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline is COc1ccc(-c2c3c(nc4nc(N5CCCCC5)sc24)CCCC3)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
The InChIKey is BAHUGVFBEZJTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-26-16-11-9-15(10-12-16)19-17-7-3-4-8-18(17)23-21-20(19)27-22(24-21)25-13-5-2-6-14-25/h9-12H,2-8,13-14H2,1H3.
What are the key properties of 9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline?
9-(4-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline has a molecular weight of 379.53 g/mol, XLogP of 5.24, 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-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline is sourced from PubChem (CID 118467818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).