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

C21H20N2O4 — CID 3242479

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1
InChIInChI=1S/C21H20N2O4/c1-25-15-9-10-19(26-2)16(12-15)20-13-17(22-27-20)21(24)23-11-5-7-14-6-3-4-8-18(14)23/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3
InChIKeyONJSSTQFERFDFA-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.95
Rot. Bonds4

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

3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 3242479) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID3242479
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1
InChIInChI=1S/C21H20N2O4/c1-25-15-9-10-19(26-2)16(12-15)20-13-17(22-27-20)21(24)23-11-5-7-14-6-3-4-8-18(14)23/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3
InChIKeyONJSSTQFERFDFA-UHFFFAOYSA-N
XLogP3.95
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 3242479) is 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is ONJSSTQFERFDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-15-9-10-19(26-2)16(12-15)20-13-17(22-27-20)21(24)23-11-5-7-14-6-3-4-8-18(14)23/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 364.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 3242479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).