10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one

C21H26N2O — CID 46843522

IUPAC10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
SMILESCCN(CC)Cc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C21H26N2O/c1-3-23(4-2)13-14-8-7-11-16-18(14)12-19-15-9-5-6-10-17(15)21(24)22-20(16)19/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,22,24)
InChIKeySZQOXJODTDXZIT-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.67
Rot. Bonds4

About 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one

10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 46843522) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
PubChem CID46843522
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
SMILESCCN(CC)Cc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C21H26N2O/c1-3-23(4-2)13-14-8-7-11-16-18(14)12-19-15-9-5-6-10-17(15)21(24)22-20(16)19/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,22,24)
InChIKeySZQOXJODTDXZIT-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one (CID 46843522) is 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one is CCN(CC)Cc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is SZQOXJODTDXZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-23(4-2)13-14-8-7-11-16-18(14)12-19-15-9-5-6-10-17(15)21(24)22-20(16)19/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 322.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 46843522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).