N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide

C21H22N2O5 — CID 169413461

IUPACN-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc2c(C)cc(-c3cc(OC)ccc3O)nc2cc1OC
InChIInChI=1S/C21H22N2O5/c1-12-7-16(15-8-13(27-3)5-6-19(15)24)22-17-10-20(28-4)18(9-14(12)17)23-21(25)11-26-2/h5-10,24H,11H2,1-4H3,(H,23,25)
InChIKeyFLRLBSWTZWONQS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide

N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide (PubChem CID 169413461) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide
PubChem CID169413461
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc2c(C)cc(-c3cc(OC)ccc3O)nc2cc1OC
InChIInChI=1S/C21H22N2O5/c1-12-7-16(15-8-13(27-3)5-6-19(15)24)22-17-10-20(28-4)18(9-14(12)17)23-21(25)11-26-2/h5-10,24H,11H2,1-4H3,(H,23,25)
InChIKeyFLRLBSWTZWONQS-UHFFFAOYSA-N
XLogP3.52
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]acetamide
CID 169416469
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide
CID 91042264
N-(2,5-dimethoxyphenyl)-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298695
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 3208160
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide (CID 169413461) is N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide is COCC(=O)Nc1cc2c(C)cc(-c3cc(OC)ccc3O)nc2cc1OC.
What is the InChIKey of N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide?
The InChIKey is FLRLBSWTZWONQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12-7-16(15-8-13(27-3)5-6-19(15)24)22-17-10-20(28-4)18(9-14(12)17)23-21(25)11-26-2/h5-10,24H,11H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide?
N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide has a molecular weight of 382.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 169413461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).