2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C21H23F2N3O3 — CID 34009738

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(F)cc(F)c32)c1
InChIInChI=1S/C21H23F2N3O3/c1-25(12-19(27)24-16-6-3-7-17(11-16)29-2)20(28)13-26-8-4-5-14-9-15(22)10-18(23)21(14)26/h3,6-7,9-11H,4-5,8,12-13H2,1-2H3,(H,24,27)
InChIKeySXUKXTGRWVSXHY-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.82
Rot. Bonds6

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 34009738) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID34009738
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(F)cc(F)c32)c1
InChIInChI=1S/C21H23F2N3O3/c1-25(12-19(27)24-16-6-3-7-17(11-16)29-2)20(28)13-26-8-4-5-14-9-15(22)10-18(23)21(14)26/h3,6-7,9-11H,4-5,8,12-13H2,1-2H3,(H,24,27)
InChIKeySXUKXTGRWVSXHY-UHFFFAOYSA-N
XLogP2.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25336323
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 120774634
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 60513329
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 34009738) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(F)cc(F)c32)c1.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is SXUKXTGRWVSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-25(12-19(27)24-16-6-3-7-17(11-16)29-2)20(28)13-26-8-4-5-14-9-15(22)10-18(23)21(14)26/h3,6-7,9-11H,4-5,8,12-13H2,1-2H3,(H,24,27).
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 403.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 34009738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).