6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide

C23H29FN2O3 — CID 143647657

IUPAC6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide
SMILESCC.CC(=O)Nc1ccc(C)c(F)c1.COc1cc2nccc(C)c2cc1OC
InChIInChI=1S/C12H13NO2.C9H10FNO.C2H6/c1-8-4-5-13-10-7-12(15-3)11(14-2)6-9(8)10;1-6-3-4-8(5-9(6)10)11-7(2)12;1-2/h4-7H,1-3H3;3-5H,1-2H3,(H,11,12);1-2H3
InChIKeyZLIOHKGZEHLZRX-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.68
Rot. Bonds3

About 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide

6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 143647657) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID143647657
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide
SMILESCC.CC(=O)Nc1ccc(C)c(F)c1.COc1cc2nccc(C)c2cc1OC
InChIInChI=1S/C12H13NO2.C9H10FNO.C2H6/c1-8-4-5-13-10-7-12(15-3)11(14-2)6-9(8)10;1-6-3-4-8(5-9(6)10)11-7(2)12;1-2/h4-7H,1-3H3;3-5H,1-2H3,(H,11,12);1-2H3
InChIKeyZLIOHKGZEHLZRX-UHFFFAOYSA-N
XLogP5.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide
CID 134566520
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
2-(2,6-dimethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7612589
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
CID 145278906
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[(3-fluoro-4-methylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2731090
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluoro-3-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
CID 90435587

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide (CID 143647657) is 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide is CC.CC(=O)Nc1ccc(C)c(F)c1.COc1cc2nccc(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is ZLIOHKGZEHLZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C9H10FNO.C2H6/c1-8-4-5-13-10-7-12(15-3)11(14-2)6-9(8)10;1-6-3-4-8(5-9(6)10)11-7(2)12;1-2/h4-7H,1-3H3;3-5H,1-2H3,(H,11,12);1-2H3.
What are the key properties of 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide?
6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 400.49 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 143647657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).