2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

C22H22N2O2 — CID 111696390

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C22H22N2O2/c1-13-16-8-5-6-10-19(16)23-14(2)18(13)12-21(26)24-22-17-9-4-3-7-15(17)11-20(22)25/h3-10,20,22,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyJKOBPCRFUZRVIT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 111696390) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID111696390
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C22H22N2O2/c1-13-16-8-5-6-10-19(16)23-14(2)18(13)12-21(26)24-22-17-9-4-3-7-15(17)11-20(22)25/h3-10,20,22,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyJKOBPCRFUZRVIT-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 111696390) is 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is JKOBPCRFUZRVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-13-16-8-5-6-10-19(16)23-14(2)18(13)12-21(26)24-22-17-9-4-3-7-15(17)11-20(22)25/h3-10,20,22,25H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 111696390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).