2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide

C21H22N2O3 — CID 169412688

IUPAC2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(O)cc1-c1cc(C)c2cc(CC(=O)N(C)C)ccc2n1
InChIInChI=1S/C21H22N2O3/c1-13-9-19(17-12-15(24)6-8-20(17)26-4)22-18-7-5-14(10-16(13)18)11-21(25)23(2)3/h5-10,12,24H,11H2,1-4H3
InChIKeyZOFHPQSQFGYHGE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide

2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide (PubChem CID 169412688) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
PubChem CID169412688
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(O)cc1-c1cc(C)c2cc(CC(=O)N(C)C)ccc2n1
InChIInChI=1S/C21H22N2O3/c1-13-9-19(17-12-15(24)6-8-20(17)26-4)22-18-7-5-14(10-16(13)18)11-21(25)23(2)3/h5-10,12,24H,11H2,1-4H3
InChIKeyZOFHPQSQFGYHGE-UHFFFAOYSA-N
XLogP3.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412700
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169414898
N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
CID 169414234
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169411482
4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride
CID 136527491
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
CID 169420107
N-[2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]acetamide
CID 169416469
6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
CID 4538129
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide (CID 169412688) is 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide is COc1ccc(O)cc1-c1cc(C)c2cc(CC(=O)N(C)C)ccc2n1.
What is the InChIKey of 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
The InChIKey is ZOFHPQSQFGYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-9-19(17-12-15(24)6-8-20(17)26-4)22-18-7-5-14(10-16(13)18)11-21(25)23(2)3/h5-10,12,24H,11H2,1-4H3.
What are the key properties of 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide has a molecular weight of 350.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 169412688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).