[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate

C20H15N3O4 — CID 2996750

IUPAC[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3cc(=O)[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C20H15N3O4/c1-12-6-8-13(9-7-12)19-23-22-18(27-19)11-26-20(25)15-10-17(24)21-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,24)
InChIKeyHNSKCBRQFNGIMD-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.24
Rot. Bonds4

About [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate

[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2996750) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2996750
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3cc(=O)[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C20H15N3O4/c1-12-6-8-13(9-7-12)19-23-22-18(27-19)11-26-20(25)15-10-17(24)21-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,24)
InChIKeyHNSKCBRQFNGIMD-UHFFFAOYSA-N
XLogP3.24
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 797915
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 839401
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-hydroxy-4-quinolinecarboxylate
CID 2647327
4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
CID 90681031
6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide
CID 90681033
7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide
CID 90681034
Methyl 4-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobutanoate
CID 90681038
7-[3-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]anilino]-7-oxoheptanoic acid
CID 90681042
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide
CID 90681043
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide
CID 90681045
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide
CID 90681051

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate (CID 2996750) is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate is Cc1ccc(-c2nnc(COC(=O)c3cc(=O)[nH]c4ccccc34)o2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is HNSKCBRQFNGIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-12-6-8-13(9-7-12)19-23-22-18(27-19)11-26-20(25)15-10-17(24)21-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate?
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2996750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).