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

C21H20N2O4 — CID 3238310

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OC
InChIInChI=1S/C21H20N2O4/c1-25-18-10-9-15(12-20(18)26-2)19-13-16(22-27-19)21(24)23-11-5-7-14-6-3-4-8-17(14)23/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3
InChIKeyCSWBYAVKATVLIH-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.95
Rot. Bonds4

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

3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 3238310) 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-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID3238310
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OC
InChIInChI=1S/C21H20N2O4/c1-25-18-10-9-15(12-20(18)26-2)19-13-16(22-27-19)21(24)23-11-5-7-14-6-3-4-8-17(14)23/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3
InChIKeyCSWBYAVKATVLIH-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

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

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Related Compounds

5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
5-(1,3-benzodioxol-5-yl)-N-(sec-butyl)isoxazole-3-carboxamide
CID 3662254
[5-(1,3-Benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
CID 4080332
1-{[5-(1,3-Benzodioxol-5-yl)-3-isoxazolyl]carbonyl}-2-methylpiperidine
CID 4319000
5-(1,3-benzodioxol-5-yl)-N,N-diethylisoxazole-3-carboxamide
CID 4524979
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
5-(1,3-benzodioxol-5-yl)-N-isobutylisoxazole-3-carboxamide
CID 15993269
5-(1,3-benzodioxol-5-yl)-N-butylisoxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-propylisoxazole-3-carboxamide
CID 16002469
1-[5-(2H-1,3-Benzodioxol-5-YL)-1,2-oxazole-3-carbonyl]-4-methylpiperidine
CID 16003877

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 3238310) is 3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OC.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is CSWBYAVKATVLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-18-10-9-15(12-20(18)26-2)19-13-16(22-27-19)21(24)23-11-5-7-14-6-3-4-8-17(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-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-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-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 3238310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).