3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole

C21H17N3O2 — CID 167899817

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CCOc4ccccc43)no2)nc2ccccc12
InChIInChI=1S/C21H17N3O2/c1-13-12-18(22-17-8-4-2-6-14(13)17)21-23-20(24-26-21)16-10-11-25-19-9-5-3-7-15(16)19/h2-9,12,16H,10-11H2,1H3
InChIKeyCOGPLGBCKYXSDN-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.51
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole

3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole (PubChem CID 167899817) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole
PubChem CID167899817
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CCOc4ccccc43)no2)nc2ccccc12
InChIInChI=1S/C21H17N3O2/c1-13-12-18(22-17-8-4-2-6-14(13)17)21-23-20(24-26-21)16-10-11-25-19-9-5-3-7-15(16)19/h2-9,12,16H,10-11H2,1H3
InChIKeyCOGPLGBCKYXSDN-UHFFFAOYSA-N
XLogP4.51
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
4-{5-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-[1,2,4]oxadiazol-3-ylmethyl}-benzoic acid
CID 44352411
3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 127040258
5-benzyl-3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-1,2,4-oxadiazole
CID 127040970
5-[(4-methoxyphenyl)methyl]-3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-1,2,4-oxadiazole
CID 127040971
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
CID 1223907
1-[(2R)-2-[5-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68686181
2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1225767
2-Methoxy-6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
CID 2023428
2-Ethoxy-3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 4112917
N-(2-methoxyphenyl)-4-(5-quinolin-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 56662002
5-(4-fluorophenyl)-3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-1,2,4-oxadiazole
CID 127040959

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole (CID 167899817) is 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(C3CCOc4ccccc43)no2)nc2ccccc12.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole?
The InChIKey is COGPLGBCKYXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-12-18(22-17-8-4-2-6-14(13)17)21-23-20(24-26-21)16-10-11-25-19-9-5-3-7-15(16)19/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole?
3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole has a molecular weight of 343.39 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167899817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).