12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid

C23H23NO2 — CID 11994756

IUPAC12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCc1ccccc1-3
InChIInChI=1S/C23H23NO2/c25-23(26)17-10-11-19-20(14-17)24-13-12-15-6-4-5-9-18(15)22(24)21(19)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,25,26)
InChIKeyIQUUYNDMIQDMKP-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.61
Rot. Bonds2

About 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid

12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid (PubChem CID 11994756) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid.

Molecular Properties

Compound Name12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid
PubChem CID11994756
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCc1ccccc1-3
InChIInChI=1S/C23H23NO2/c25-23(26)17-10-11-19-20(14-17)24-13-12-15-6-4-5-9-18(15)22(24)21(19)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,25,26)
InChIKeyIQUUYNDMIQDMKP-UHFFFAOYSA-N
XLogP5.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
The IUPAC name of 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid (CID 11994756) is 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid.
What is the SMILES notation for 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
The canonical SMILES for 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCc1ccccc1-3.
What is the InChIKey of 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
The InChIKey is IQUUYNDMIQDMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26)17-10-11-19-20(14-17)24-13-12-15-6-4-5-9-18(15)22(24)21(19)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,25,26).
What are the key properties of 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid is sourced from PubChem (CID 11994756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).