1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone

C21H20N2O3 — CID 16878976

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
SMILESCOc1cccc(-c2cc(CC(=O)N3CCCc4ccccc43)no2)c1
InChIInChI=1S/C21H20N2O3/c1-25-18-9-4-7-16(12-18)20-13-17(22-26-20)14-21(24)23-11-5-8-15-6-2-3-10-19(15)23/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3
InChIKeyYQTUWVYOFKCECJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.87
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 16878976) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID16878976
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
SMILESCOc1cccc(-c2cc(CC(=O)N3CCCc4ccccc43)no2)c1
InChIInChI=1S/C21H20N2O3/c1-25-18-9-4-7-16(12-18)20-13-17(22-26-20)14-21(24)23-11-5-8-15-6-2-3-10-19(15)23/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3
InChIKeyYQTUWVYOFKCECJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 20906228
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
1-[9-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133068032
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CID 59467896
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906532
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 23939459

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone (CID 16878976) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone is COc1cccc(-c2cc(CC(=O)N3CCCc4ccccc43)no2)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is YQTUWVYOFKCECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-18-9-4-7-16(12-18)20-13-17(22-26-20)14-21(24)23-11-5-8-15-6-2-3-10-19(15)23/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 348.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 16878976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).