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

C24H24N2O4 — CID 7178270

IUPAC2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1coc(CN2CCCc3ccccc32)cc1=O
InChIInChI=1S/C24H24N2O4/c1-17-7-2-4-10-20(17)25-24(28)16-30-23-15-29-19(13-22(23)27)14-26-12-6-9-18-8-3-5-11-21(18)26/h2-5,7-8,10-11,13,15H,6,9,12,14,16H2,1H3,(H,25,28)
InChIKeyNVLLOOPSBXZVDR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.92
Rot. Bonds6

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

2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide (PubChem CID 7178270) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide
PubChem CID7178270
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1coc(CN2CCCc3ccccc32)cc1=O
InChIInChI=1S/C24H24N2O4/c1-17-7-2-4-10-20(17)25-24(28)16-30-23-15-29-19(13-22(23)27)14-26-12-6-9-18-8-3-5-11-21(18)26/h2-5,7-8,10-11,13,15H,6,9,12,14,16H2,1H3,(H,25,28)
InChIKeyNVLLOOPSBXZVDR-UHFFFAOYSA-N
XLogP3.92
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.92
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-methylphenyl)acetamide with MolForge

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Related Compounds

(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
6-Methyl-3-morpholin-4-yl-4-phenyl-1H-quinolin-2-one
CID 742145
N-[2-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide
CID 126744949
3-Methoxy-4-phenyl-1H-quinolin-2-one
CID 477707
4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethoxy]-1-methylquinolin-2(1H)-one
CID 3238431
2-(2,3-Dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7178232
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 7178290
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7178299
N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178338
2-((6-(indolin-1-ylmethyl)-4-oxo-4H-pyran-3-yl)oxy)-N-phenethylacetamide
CID 7178371
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
CID 7178592
2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 7292909

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-methylphenyl)acetamide?
The IUPAC name of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide (CID 7178270) is 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1coc(CN2CCCc3ccccc32)cc1=O.
What is the InChIKey of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide?
The InChIKey is NVLLOOPSBXZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17-7-2-4-10-20(17)25-24(28)16-30-23-15-29-19(13-22(23)27)14-26-12-6-9-18-8-3-5-11-21(18)26/h2-5,7-8,10-11,13,15H,6,9,12,14,16H2,1H3,(H,25,28).
What are the key properties of 2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide?
2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-methylphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.92, 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-methylphenyl)acetamide is sourced from PubChem (CID 7178270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).