12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid

C22H24N2O2 — CID 66801404

IUPAC12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid
SMILESCCCN(C)c1cccc2c1CCn1c-2c(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C22H24N2O2/c1-4-11-23(3)19-7-5-6-18-17(19)10-12-24-20-13-15(22(25)26)8-9-16(20)14(2)21(18)24/h5-9,13H,4,10-12H2,1-3H3,(H,25,26)
InChIKeyDVXOBGOQPLGLCM-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.72
Rot. Bonds4

About 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid

12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid (PubChem CID 66801404) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid.

Molecular Properties

Compound Name12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid
PubChem CID66801404
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid
SMILESCCCN(C)c1cccc2c1CCn1c-2c(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C22H24N2O2/c1-4-11-23(3)19-7-5-6-18-17(19)10-12-24-20-13-15(22(25)26)8-9-16(20)14(2)21(18)24/h5-9,13H,4,10-12H2,1-3H3,(H,25,26)
InChIKeyDVXOBGOQPLGLCM-UHFFFAOYSA-N
XLogP4.72
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
The IUPAC name of 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid (CID 66801404) is 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid.
What is the SMILES notation for 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
The canonical SMILES for 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid is CCCN(C)c1cccc2c1CCn1c-2c(C)c2ccc(C(=O)O)cc21.
What is the InChIKey of 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
The InChIKey is DVXOBGOQPLGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-11-23(3)19-7-5-6-18-17(19)10-12-24-20-13-15(22(25)26)8-9-16(20)14(2)21(18)24/h5-9,13H,4,10-12H2,1-3H3,(H,25,26).
What are the key properties of 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid?
12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-4-[methyl(propyl)amino]-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid is sourced from PubChem (CID 66801404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).