3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol

C22H22N2OS — CID 44634446

IUPAC3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
SMILESCC1(C)Cc2nc(Cc3cccs3)c3[nH]c4ccccc4c3c2C(O)C1
InChIInChI=1S/C22H22N2OS/c1-22(2)11-17-20(18(25)12-22)19-14-7-3-4-8-15(14)24-21(19)16(23-17)10-13-6-5-9-26-13/h3-9,18,24-25H,10-12H2,1-2H3
InChIKeyVAMFJZDKKVBOLG-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.37
Rot. Bonds2

About 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol

3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol (PubChem CID 44634446) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
PubChem CID44634446
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
SMILESCC1(C)Cc2nc(Cc3cccs3)c3[nH]c4ccccc4c3c2C(O)C1
InChIInChI=1S/C22H22N2OS/c1-22(2)11-17-20(18(25)12-22)19-14-7-3-4-8-15(14)24-21(19)16(23-17)10-13-6-5-9-26-13/h3-9,18,24-25H,10-12H2,1-2H3
InChIKeyVAMFJZDKKVBOLG-UHFFFAOYSA-N
XLogP5.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The IUPAC name of 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol (CID 44634446) is 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol.
What is the SMILES notation for 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The canonical SMILES for 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol is CC1(C)Cc2nc(Cc3cccs3)c3[nH]c4ccccc4c3c2C(O)C1.
What is the InChIKey of 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
The InChIKey is VAMFJZDKKVBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-22(2)11-17-20(18(25)12-22)19-14-7-3-4-8-15(14)24-21(19)16(23-17)10-13-6-5-9-26-13/h3-9,18,24-25H,10-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol?
3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol has a molecular weight of 362.50 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol is sourced from PubChem (CID 44634446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).