2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

C19H19N3O — CID 78821599

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(CN3CCCc4ccccc43)o2)c1
InChIInChI=1S/C19H19N3O/c1-14-6-4-8-16(12-14)19-21-20-18(23-19)13-22-11-5-9-15-7-2-3-10-17(15)22/h2-4,6-8,10,12H,5,9,11,13H2,1H3
InChIKeyVVEGSPXJMQPPML-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.00
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 78821599) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID78821599
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(CN3CCCc4ccccc43)o2)c1
InChIInChI=1S/C19H19N3O/c1-14-6-4-8-16(12-14)19-21-20-18(23-19)13-22-11-5-9-15-7-2-3-10-17(15)22/h2-4,6-8,10,12H,5,9,11,13H2,1H3
InChIKeyVVEGSPXJMQPPML-UHFFFAOYSA-N
XLogP4.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 78821599) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(CN3CCCc4ccccc43)o2)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is VVEGSPXJMQPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-6-4-8-16(12-14)19-21-20-18(23-19)13-22-11-5-9-15-7-2-3-10-17(15)22/h2-4,6-8,10,12H,5,9,11,13H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 78821599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).