9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol

C20H18N2OS — CID 71245154

IUPAC9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC(N)Cc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1
InChIInChI=1S/C20H18N2OS/c1-12(21)10-13-2-4-14(5-3-13)19-17(23)7-6-16-20(19)15-8-9-24-18(15)11-22-16/h2-9,11-12,23H,10,21H2,1H3
InChIKeyGPTJKBNINDVUIJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.71
Rot. Bonds3

About 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol

9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 71245154) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID71245154
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC(N)Cc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1
InChIInChI=1S/C20H18N2OS/c1-12(21)10-13-2-4-14(5-3-13)19-17(23)7-6-16-20(19)15-8-9-24-18(15)11-22-16/h2-9,11-12,23H,10,21H2,1H3
InChIKeyGPTJKBNINDVUIJ-UHFFFAOYSA-N
XLogP4.71
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol (CID 71245154) is 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol is CC(N)Cc1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1.
What is the InChIKey of 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is GPTJKBNINDVUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-12(21)10-13-2-4-14(5-3-13)19-17(23)7-6-16-20(19)15-8-9-24-18(15)11-22-16/h2-9,11-12,23H,10,21H2,1H3.
What are the key properties of 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 334.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 71245154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).