2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide

C20H26N2O — CID 35006428

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H26N2O/c1-13-8-10-16(11-9-13)22-20(23)12-18-14(2)17-6-4-5-7-19(17)21-15(18)3/h4-7,13,16H,8-12H2,1-3H3,(H,22,23)
InChIKeyLAXKRYSHIHBEBN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.09
Rot. Bonds3

About 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide

2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 35006428) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID35006428
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H26N2O/c1-13-8-10-16(11-9-13)22-20(23)12-18-14(2)17-6-4-5-7-19(17)21-15(18)3/h4-7,13,16H,8-12H2,1-3H3,(H,22,23)
InChIKeyLAXKRYSHIHBEBN-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide (CID 35006428) is 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is LAXKRYSHIHBEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13-8-10-16(11-9-13)22-20(23)12-18-14(2)17-6-4-5-7-19(17)21-15(18)3/h4-7,13,16H,8-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 35006428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).