2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide

C25H26N2O4 — CID 7178285

IUPAC2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2coc(CN3CCCc4ccccc43)cc2=O)c1C
InChIInChI=1S/C25H26N2O4/c1-17-7-5-10-21(18(17)2)26-25(29)16-31-24-15-30-20(13-23(24)28)14-27-12-6-9-19-8-3-4-11-22(19)27/h3-5,7-8,10-11,13,15H,6,9,12,14,16H2,1-2H3,(H,26,29)
InChIKeyRNNHOYVQDAEJHP-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.23
Rot. Bonds6

About 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide

2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7178285) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
PubChem CID7178285
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2coc(CN3CCCc4ccccc43)cc2=O)c1C
InChIInChI=1S/C25H26N2O4/c1-17-7-5-10-21(18(17)2)26-25(29)16-31-24-15-30-20(13-23(24)28)14-27-12-6-9-19-8-3-4-11-22(19)27/h3-5,7-8,10-11,13,15H,6,9,12,14,16H2,1-2H3,(H,26,29)
InChIKeyRNNHOYVQDAEJHP-UHFFFAOYSA-N
XLogP4.23
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 16802988
N-(3-chlorophenyl)-2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7178595
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide
CID 7178303
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
CID 7178320
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 16812837
5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
CID 7541832
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
2-[6-(2,3-dihydroindole-1-carbonyl)-4-oxopyran-3-yl]oxy-N-(2-ethoxyphenyl)acetamide
CID 30864833
2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 51043423
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 7178264
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide (CID 7178285) is 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)COc2coc(CN3CCCc4ccccc43)cc2=O)c1C.
What is the InChIKey of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is RNNHOYVQDAEJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-7-5-10-21(18(17)2)26-25(29)16-31-24-15-30-20(13-23(24)28)14-27-12-6-9-19-8-3-4-11-22(19)27/h3-5,7-8,10-11,13,15H,6,9,12,14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide?
2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 418.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7178285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).